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

C15H20F3NO — CID 60899190

IUPAC1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
SMILESOC1(CNc2ccccc2C(F)(F)F)CCCCCC1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)12-7-3-4-8-13(12)19-11-14(20)9-5-1-2-6-10-14/h3-4,7-8,19-20H,1-2,5-6,9-11H2
InChIKeySTUCOKLMHSJKSI-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.20
Rot. Bonds3

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

1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol (PubChem CID 60899190) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
PubChem CID60899190
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol
SMILESOC1(CNc2ccccc2C(F)(F)F)CCCCCC1
InChIInChI=1S/C15H20F3NO/c16-15(17,18)12-7-3-4-8-13(12)19-11-14(20)9-5-1-2-6-10-14/h3-4,7-8,19-20H,1-2,5-6,9-11H2
InChIKeySTUCOKLMHSJKSI-UHFFFAOYSA-N
XLogP4.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-ethylanilino)methyl]cyclohexan-1-ol
CID 60901849
1-[(2,3-difluoroanilino)methyl]cyclohexan-1-ol
CID 61077001
1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213996
N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86974243
1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 65210798
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475461
2-[1-[2-(trifluoromethyl)anilino]cyclohexyl]acetic acid
CID 64702163
1-[(2-amino-3-chloroanilino)methyl]cyclohexan-1-ol
CID 104834640
2-(hydroxymethyl)-2-[2-(trifluoromethyl)anilino]propane-1,3-diol
CID 114008841
N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethyl)aniline
CID 104762720
1-[(2-methoxyanilino)methyl]cyclobutan-1-ol
CID 131701666
2-(2-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]-2-methylpropanamide
CID 111446209

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol (CID 60899190) is 1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol is OC1(CNc2ccccc2C(F)(F)F)CCCCCC1.
What is the InChIKey of 1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol?
The InChIKey is STUCOKLMHSJKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c16-15(17,18)12-7-3-4-8-13(12)19-11-14(20)9-5-1-2-6-10-14/h3-4,7-8,19-20H,1-2,5-6,9-11H2.
What are the key properties of 1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol?
1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol has a molecular weight of 287.32 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)anilino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 60899190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).