2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol

C14H18F3NO — CID 60897087

IUPAC2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c15-14(16,17)10-6-4-5-7-11(10)18-12-8-2-1-3-9-13(12)19/h4-7,12-13,18-19H,1-3,8-9H2
InChIKeyGJNUPUPCWDIBLZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.81
Rot. Bonds2

About 2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol

2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol (PubChem CID 60897087) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol
PubChem CID60897087
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol
SMILESOC1CCCCCC1Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO/c15-14(16,17)10-6-4-5-7-11(10)18-12-8-2-1-3-9-13(12)19/h4-7,12-13,18-19H,1-3,8-9H2
InChIKeyGJNUPUPCWDIBLZ-UHFFFAOYSA-N
XLogP3.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-bromo-2-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 60885883
2-[4-amino-2-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 62359958
2-[2-chloro-6-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 63487992
N-(2,3-dimethylcyclohexyl)-2-(trifluoromethyl)aniline
CID 63536597
trans-(1S,2S)-2-[4-bromo-2-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733137
trans-(1S,2S)-2-(2-fluoroanilino)cyclopentan-1-ol
CID 93345872
2-(naphthalen-1-ylamino)cycloheptan-1-ol
CID 60897825
trans-(1S,2S)-2-(2-ethylanilino)cyclohexan-1-ol
CID 102730945
trans-(1S,2S)-2-[2-chloro-6-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733047
2-[4-chloro-3-(trifluoromethyl)anilino]cycloheptan-1-ol
CID 60900430
trans-(1R,2R)-2-(2-benzylanilino)cyclohexan-1-ol
CID 102730921
N-[(1S,2S)-2-hydroxycyclohexyl]-2-(trifluoromethyl)benzenesulfonamide
CID 104953174

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol?
The IUPAC name of 2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol (CID 60897087) is 2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol.
What is the SMILES notation for 2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol?
The canonical SMILES for 2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol is OC1CCCCCC1Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol?
The InChIKey is GJNUPUPCWDIBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)10-6-4-5-7-11(10)18-12-8-2-1-3-9-13(12)19/h4-7,12-13,18-19H,1-3,8-9H2.
What are the key properties of 2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol?
2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol has a molecular weight of 273.30 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)anilino]cycloheptan-1-ol is sourced from PubChem (CID 60897087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).