1-(2-amino-6-fluorophenyl)cyclohexan-1-ol

C12H16FNO — CID 117104236

IUPAC1-(2-amino-6-fluorophenyl)cyclohexan-1-ol
SMILESNc1cccc(F)c1C1(O)CCCCC1
InChIInChI=1S/C12H16FNO/c13-9-5-4-6-10(14)11(9)12(15)7-2-1-3-8-12/h4-6,15H,1-3,7-8,14H2
InChIKeyUMGXISAQWLIFHL-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.56
Rot. Bonds1

About 1-(2-amino-6-fluorophenyl)cyclohexan-1-ol

1-(2-amino-6-fluorophenyl)cyclohexan-1-ol (PubChem CID 117104236) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 1-(2-amino-6-fluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-amino-6-fluorophenyl)cyclohexan-1-ol
PubChem CID117104236
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name1-(2-amino-6-fluorophenyl)cyclohexan-1-ol
SMILESNc1cccc(F)c1C1(O)CCCCC1
InChIInChI=1S/C12H16FNO/c13-9-5-4-6-10(14)11(9)12(15)7-2-1-3-8-12/h4-6,15H,1-3,7-8,14H2
InChIKeyUMGXISAQWLIFHL-UHFFFAOYSA-N
XLogP2.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2-(1-hydroxycyclohexyl)phenol
CID 117104238
1-(2-fluoro-6-methoxyphenyl)cyclopropan-1-ol
CID 65434652
2-(1-hydroxycyclopentyl)benzene-1,3-diol
CID 117104102
2-(2-azaspiro[3.4]octan-2-yl)-3-fluoroaniline
CID 81311910
1-[2-(2-fluorophenyl)phenyl]cyclopentan-1-ol
CID 19036896
[1-(2,6-difluorophenyl)cyclopentyl]methanamine
CID 47002854
1-[2-amino-3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 117104301
3-(2-amino-6-chlorophenyl)pyrrolidin-3-ol
CID 117103678
1-(2,3,4-trifluorophenyl)cycloheptan-1-ol
CID 62964767
1-(2-fluoro-6-methylsulfonylphenyl)cyclopropan-1-ol
CID 117332324
2-(azepan-1-yl)-3-fluoroaniline
CID 81311219
2-amino-6-fluorophenol;hydrochloride
CID 174428630

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-fluorophenyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-amino-6-fluorophenyl)cyclohexan-1-ol (CID 117104236) is 1-(2-amino-6-fluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-amino-6-fluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-amino-6-fluorophenyl)cyclohexan-1-ol is Nc1cccc(F)c1C1(O)CCCCC1.
What is the InChIKey of 1-(2-amino-6-fluorophenyl)cyclohexan-1-ol?
The InChIKey is UMGXISAQWLIFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-9-5-4-6-10(14)11(9)12(15)7-2-1-3-8-12/h4-6,15H,1-3,7-8,14H2.
What are the key properties of 1-(2-amino-6-fluorophenyl)cyclohexan-1-ol?
1-(2-amino-6-fluorophenyl)cyclohexan-1-ol has a molecular weight of 209.26 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-fluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 117104236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).