3-Isobutyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]aniline

HCID 86619002
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Basic information

Standard SMILES
CC(C)Cc1cc(N)ccc1C(F)(C(F)(F)F)C(F)(F)F
InChIKey
YKJTUTRBESUQCV-UHFFFAOYSA-N
Molecular formula
C13H14F7N
Average molar mass
317.25 g/mol

Names & identifiers

Preferred name
3-Isobutyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]aniline
IUPAC
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(2-methylpropyl)aniline

Names & synonyms

3-isobutyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]anilineSCHEMBL1452603

Database identifiers

PubChem CID
86619002
Nikkaji
J3.204.139F

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
3
Heavy atoms
21

Related reactions

8 records
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Compound notes

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