2-(2,3,5-trifluoroanilino)cyclohexan-1-ol

C12H14F3NO — CID 55118688

IUPAC2-(2,3,5-trifluoroanilino)cyclohexan-1-ol
SMILESOC1CCCCC1Nc1cc(F)cc(F)c1F
InChIInChI=1S/C12H14F3NO/c13-7-5-8(14)12(15)10(6-7)16-9-3-1-2-4-11(9)17/h5-6,9,11,16-17H,1-4H2
InChIKeyAWAWQULWALDYPM-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.82
Rot. Bonds2

About 2-(2,3,5-trifluoroanilino)cyclohexan-1-ol

2-(2,3,5-trifluoroanilino)cyclohexan-1-ol (PubChem CID 55118688) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(2,3,5-trifluoroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2,3,5-trifluoroanilino)cyclohexan-1-ol
PubChem CID55118688
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-(2,3,5-trifluoroanilino)cyclohexan-1-ol
SMILESOC1CCCCC1Nc1cc(F)cc(F)c1F
InChIInChI=1S/C12H14F3NO/c13-7-5-8(14)12(15)10(6-7)16-9-3-1-2-4-11(9)17/h5-6,9,11,16-17H,1-4H2
InChIKeyAWAWQULWALDYPM-UHFFFAOYSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-2-(2,4,5-trifluoroanilino)cyclohexan-1-ol
CID 102731209
2-(3,5-difluoro-2-nitroanilino)cyclohexan-1-ol
CID 115507892
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclohexan-1-ol
CID 102730953
trans-(1S,2S)-2-(2-chloro-5-fluoroanilino)cyclohexan-1-ol
CID 107528235
trans-(1R,2R)-2-(5-fluoro-2-methylanilino)cyclohexan-1-ol
CID 102730941
trans-(1R,2R)-2-(3,4,5-trifluoroanilino)cyclopentan-1-ol
CID 94872516
trans-(1S,2S)-2-(5-bromo-2,4-difluoroanilino)cyclopentan-1-ol
CID 102853369
trans-(1S,2S)-2-(4-chloro-2-fluoroanilino)cyclohexan-1-ol
CID 102731106
trans-(1S,2S)-2-(3,5-difluoroanilino)cyclopentan-1-ol
CID 93345900
2-(2-bromo-5-fluoroanilino)cyclopentan-1-ol
CID 107635614
2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine
CID 82727725
trans-(1S,2S)-2-(2-chloro-4,6-difluoroanilino)cyclopentan-1-ol
CID 102733945

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trifluoroanilino)cyclohexan-1-ol?
The IUPAC name of 2-(2,3,5-trifluoroanilino)cyclohexan-1-ol (CID 55118688) is 2-(2,3,5-trifluoroanilino)cyclohexan-1-ol.
What is the SMILES notation for 2-(2,3,5-trifluoroanilino)cyclohexan-1-ol?
The canonical SMILES for 2-(2,3,5-trifluoroanilino)cyclohexan-1-ol is OC1CCCCC1Nc1cc(F)cc(F)c1F.
What is the InChIKey of 2-(2,3,5-trifluoroanilino)cyclohexan-1-ol?
The InChIKey is AWAWQULWALDYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-7-5-8(14)12(15)10(6-7)16-9-3-1-2-4-11(9)17/h5-6,9,11,16-17H,1-4H2.
What are the key properties of 2-(2,3,5-trifluoroanilino)cyclohexan-1-ol?
2-(2,3,5-trifluoroanilino)cyclohexan-1-ol has a molecular weight of 245.24 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trifluoroanilino)cyclohexan-1-ol is sourced from PubChem (CID 55118688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).