3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol

C14H18F3NO — CID 106129728

IUPAC3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)11-4-6-12(7-5-11)18-9-10-2-1-3-13(19)8-10/h4-7,10,13,18-19H,1-3,8-9H2
InChIKeyDNHIBYWVMBZZBZ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.67
Rot. Bonds3

About 3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol

3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol (PubChem CID 106129728) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
PubChem CID106129728
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNc2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)11-4-6-12(7-5-11)18-9-10-2-1-3-13(19)8-10/h4-7,10,13,18-19H,1-3,8-9H2
InChIKeyDNHIBYWVMBZZBZ-UHFFFAOYSA-N
XLogP3.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorocyclobutyl)methyl]-4-(trifluoromethyl)aniline
CID 66004169
3-[(naphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106136822
1-[(3-hydroxycyclohexyl)methyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 111486817
N-[(3-hydroxycyclohexyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 111460408
3-[[2-fluoro-4-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 103269807
3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
CID 103785891
3-[(2,3,4,5,6-pentafluoroanilino)methyl]cyclohexan-1-ol
CID 106129529
4-[(3-hydroxycyclohexyl)methylamino]-2-methylbenzoic acid
CID 106136559
3-[(4-fluoroanilino)methyl]cyclobutan-1-ol
CID 126794071
N-[(3-hydroxycyclohexyl)methyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111459667
1-[2-amino-5-[(3-hydroxycyclohexyl)methylamino]phenyl]ethanone
CID 106119986
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol (CID 106129728) is 3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol is OC1CCCC(CNc2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The InChIKey is DNHIBYWVMBZZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)11-4-6-12(7-5-11)18-9-10-2-1-3-13(19)8-10/h4-7,10,13,18-19H,1-3,8-9H2.
What are the key properties of 3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol has a molecular weight of 273.30 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106129728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).