1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine

C13H17F2N — CID 117323795

IUPAC1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1(c2ccccc2C(F)F)CCCCC1
InChIInChI=1S/C13H17F2N/c14-12(15)10-6-2-3-7-11(10)13(16)8-4-1-5-9-13/h2-3,6-7,12H,1,4-5,8-9,16H2
InChIKeyDYFGNXJLKPJGBY-UHFFFAOYSA-N
MW225.28 g/mol
LogP3.74
Rot. Bonds2

About 1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine

1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 117323795) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID117323795
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1(c2ccccc2C(F)F)CCCCC1
InChIInChI=1S/C13H17F2N/c14-12(15)10-6-2-3-7-11(10)13(16)8-4-1-5-9-13/h2-3,6-7,12H,1,4-5,8-9,16H2
InChIKeyDYFGNXJLKPJGBY-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(difluoromethyl)phenyl]azetidin-3-amine
CID 166608725
1-[2-(difluoromethyl)-5-methylphenyl]cyclopentan-1-amine
CID 117323744
1-[2-(difluoromethyl)-5-methoxyphenyl]cyclohexan-1-amine
CID 117391231
1-[2-(1-aminocyclopentyl)phenyl]ethane-1,2-diol
CID 117316621
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
1-[2-(1-fluorocyclohexyl)phenyl]cyclopropan-1-amine
CID 84726857
1-[2-(1-methoxyethyl)phenyl]cyclobutan-1-amine
CID 117112865
1-(2-bromophenyl)cyclopentan-1-amine;hydrochloride
CID 171935306
1-(2-tert-butylphenyl)cyclohexan-1-amine
CID 84794895
1-[2-(2-fluoropropyl)phenyl]cyclobutan-1-amine
CID 117296596
1-[5-chloro-2-(difluoromethyl)phenyl]cyclopropan-1-amine
CID 84785745
1-(2-cyclohexylphenyl)cyclohexan-1-amine
CID 117397261

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine (CID 117323795) is 1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine is NC1(c2ccccc2C(F)F)CCCCC1.
What is the InChIKey of 1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is DYFGNXJLKPJGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c14-12(15)10-6-2-3-7-11(10)13(16)8-4-1-5-9-13/h2-3,6-7,12H,1,4-5,8-9,16H2.
What are the key properties of 1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine?
1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 225.28 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 117323795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).