2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol

C13H15F4NO — CID 103702887

IUPAC2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C13H15F4NO/c14-9-7-8(13(15,16)17)5-6-10(9)18-11-3-1-2-4-12(11)19/h5-7,11-12,18-19H,1-4H2
InChIKeyLTYVENBJCCLSAA-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.56
Rot. Bonds2

About 2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol

2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol (PubChem CID 103702887) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
PubChem CID103702887
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C13H15F4NO/c14-9-7-8(13(15,16)17)5-6-10(9)18-11-3-1-2-4-12(11)19/h5-7,11-12,18-19H,1-4H2
InChIKeyLTYVENBJCCLSAA-UHFFFAOYSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733436
2-[2-bromo-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 115511652
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
2-[(2-hydroxycyclohexyl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 62361318
2-[2-nitro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 22100123
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpiperidin-3-amine
CID 107303866
2-(4-bromo-2-fluoroanilino)cycloheptan-1-ol
CID 60898844
trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine
CID 103873048
trans-(1S,2S)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102732964
4-N-[2-fluoro-4-(trifluoromethyl)phenyl]-1-N-methylcyclohexane-1,4-diamine
CID 107303820
2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 60885883

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol?
The IUPAC name of 2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol (CID 103702887) is 2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol is OC1CCCCC1Nc1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol?
The InChIKey is LTYVENBJCCLSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-9-7-8(13(15,16)17)5-6-10(9)18-11-3-1-2-4-12(11)19/h5-7,11-12,18-19H,1-4H2.
What are the key properties of 2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol?
2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol has a molecular weight of 277.26 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 103702887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).