1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol

C13H16F3NO — CID 117104301

IUPAC1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESNc1c(C(F)(F)F)cccc1C1(O)CCCCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)10-6-4-5-9(11(10)17)12(18)7-2-1-3-8-12/h4-6,18H,1-3,7-8,17H2
InChIKeyGNJMFIPUNLTOEE-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.44
Rot. Bonds1

About 1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol

1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 117104301) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID117104301
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESNc1c(C(F)(F)F)cccc1C1(O)CCCCC1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)10-6-4-5-9(11(10)17)12(18)7-2-1-3-8-12/h4-6,18H,1-3,7-8,17H2
InChIKeyGNJMFIPUNLTOEE-UHFFFAOYSA-N
XLogP3.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 117104301) is 1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol is Nc1c(C(F)(F)F)cccc1C1(O)CCCCC1.
What is the InChIKey of 1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is GNJMFIPUNLTOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)10-6-4-5-9(11(10)17)12(18)7-2-1-3-8-12/h4-6,18H,1-3,7-8,17H2.
What are the key properties of 1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 259.27 g/mol, XLogP of 3.44, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 117104301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).