2-(5-fluoro-1H-indol-3-yl)ethanol

HCID 13616248
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Basic information

CAS
101349-12-6
Standard SMILES
OCCc1c[nH]c2ccc(F)cc12
InChIKey
MXTYSYXDDDVPBQ-UHFFFAOYSA-N
Molecular formula
C10H10FNO
Average molar mass
179.19 g/mol
Monoisotopic mass
179.07464211

Names & identifiers

Preferred name
2-(5-fluoro-1H-indol-3-yl)ethanol
IUPAC
2-(5-fluoro-1H-indol-3-yl)ethanol
English name
2-(5-Fluoro-1H-indol-3-yl)ethanol
Molecular formula
C10H10FNO
Molecular weight
179.19

Names & synonyms

101349-12-62-(5-fluoro-1H-indol-3-yl)ethanol2-(5-fluoro-1H-indol-3-yl)ethan-1-ol1H-Indole-3-ethanol, 5-fluoro-MFCD097526972-(5-fluoro-1H-indol-3-yl)-ethanol5-Fluoro-3-(2-hydroxyethyl)indole5-Fluoroindole-3-ethanolSCHEMBL517983DTXSID60545104MXTYSorb3169876
Show more names
Compound FL00935-Fluorotryptophol5-Fluoro-1H-indole-3-ethanol1H-INDOLE-3-ETHANOL,5-FLUORO-5-FLUORO-3-HYDROXYETHYL-INDOLE2-(5-Fluoro-1h-indol-3-yl)ethano
SCHEMBL29571866MXTYSYXDDDVPBQ-UHFFFAOYSA-N5-Floro-3-(2-hydroxyethyl)indoleAB3772FL0093AKOS005135869DS-7673SB14963

Database identifiers

CAS
101349-12-6
PubChem CID
13616248
DTXSID
DTXSID60545104
Nikkaji
J2.582.339G

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
36 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Melting point
89 · 89-91℃
Boiling point
361.2 · 361.2±27.0 °C(Predicted)
Density
1.313 · 1.313±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
14.87 · 14.87±0.10(Predicted)
Appearance
Off-white to yellow Solid

Safety & regulation

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H317
Precautionary statements
P280

Chemistry & industry

Upstream & downstream products

Suppliers53 total

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
上海埃玛诺生物科技有限公司17302153218
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

14 records
New reaction record

Compound notes

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