2-(1-aminocyclohexyl)-3,4,6-trifluorophenol

C12H14F3NO — CID 117364421

IUPAC2-(1-aminocyclohexyl)-3,4,6-trifluorophenol
SMILESNC1(c2c(O)c(F)cc(F)c2F)CCCCC1
InChIInChI=1S/C12H14F3NO/c13-7-6-8(14)11(17)9(10(7)15)12(16)4-2-1-3-5-12/h6,17H,1-5,16H2
InChIKeyZIKWOLDJRRFKJR-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.93
Rot. Bonds1

About 2-(1-aminocyclohexyl)-3,4,6-trifluorophenol

2-(1-aminocyclohexyl)-3,4,6-trifluorophenol (PubChem CID 117364421) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-3,4,6-trifluorophenol.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-3,4,6-trifluorophenol
PubChem CID117364421
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-(1-aminocyclohexyl)-3,4,6-trifluorophenol
SMILESNC1(c2c(O)c(F)cc(F)c2F)CCCCC1
InChIInChI=1S/C12H14F3NO/c13-7-6-8(14)11(17)9(10(7)15)12(16)4-2-1-3-5-12/h6,17H,1-5,16H2
InChIKeyZIKWOLDJRRFKJR-UHFFFAOYSA-N
XLogP2.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(1-aminocyclohexyl)-3,4,6-trifluorophenol 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-(1-aminocyclohexyl)-4-chloro-6-fluoro-3-methylphenol
CID 117397935
4-(1-aminocyclohexyl)-5-bromo-3-fluorobenzene-1,2-diol
CID 117489242
4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol
CID 117471497
1-(2,3,5-trifluoro-6-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 117367168
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
2-(1-aminocyclohexyl)-6-fluoro-4-methylphenol
CID 117320128
1-(2,4,6-trifluorophenyl)cyclopentan-1-amine;hydrochloride
CID 117046880
2-(1-aminocyclopentyl)-4-bromo-6-fluorophenol
CID 117437486
1-(2,3,6-trifluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117333727
6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol
CID 117361092
3-(1-aminocyclobutyl)-2,4-difluorophenol
CID 117288339
3-(1-aminocyclohexyl)-6-fluorobenzene-1,2-diol
CID 117323320

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-3,4,6-trifluorophenol?
The IUPAC name of 2-(1-aminocyclohexyl)-3,4,6-trifluorophenol (CID 117364421) is 2-(1-aminocyclohexyl)-3,4,6-trifluorophenol.
What is the SMILES notation for 2-(1-aminocyclohexyl)-3,4,6-trifluorophenol?
The canonical SMILES for 2-(1-aminocyclohexyl)-3,4,6-trifluorophenol is NC1(c2c(O)c(F)cc(F)c2F)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-3,4,6-trifluorophenol?
The InChIKey is ZIKWOLDJRRFKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-7-6-8(14)11(17)9(10(7)15)12(16)4-2-1-3-5-12/h6,17H,1-5,16H2.
What are the key properties of 2-(1-aminocyclohexyl)-3,4,6-trifluorophenol?
2-(1-aminocyclohexyl)-3,4,6-trifluorophenol has a molecular weight of 245.24 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-3,4,6-trifluorophenol is sourced from PubChem (CID 117364421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).