4-Ethylbenzotrifluoride

HCID 5324697
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Basic information

Standard SMILES
CCc1ccc(C(F)(F)F)cc1
InChIKey
IHHXYTIKYUHTQU-UHFFFAOYSA-N
Molecular formula
C9H9F3
Average molar mass
174.16 g/mol

Names & identifiers

Preferred name
4-Ethylbenzotrifluoride
IUPAC
1-ethyl-4-(trifluoromethyl)benzene

Names & synonyms

4-Ethylbenzotrifluoride1-ethyl-4-(trifluoromethyl)benzene27190-69-8MFCD11100540Benzene, 1-ethyl-4-(trifluoromethyl)-SCHEMBL91061SCHEMBL127709SCHEMBL697522SCHEMBL2095132SCHEMBL2578700SCHEMBL3367244SCHEMBL7772383
Show more names
PZIWTXSEDVGSSI-UHFFFAOYSA-NAKOS005255481CS-0333394H71597F070030InChI=1/C9H9F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h3-6H,2H2,1H

Database identifiers

PubChem CID
5324697
Nikkaji
J1.401.823I、J2.585.380F

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
12

Related reactions

2 records
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Compound notes

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