4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride

C13H18ClF2N — CID 131637935

IUPAC4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride
SMILESCc1ccccc1C1(N)CCC(F)(F)CC1.Cl
InChIInChI=1S/C13H17F2N.ClH/c1-10-4-2-3-5-11(10)12(16)6-8-13(14,15)9-7-12;/h2-5H,6-9,16H2,1H3;1H
InChIKeyUGVOYVMODKWYMI-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.78
Rot. Bonds1

About 4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride

4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride (PubChem CID 131637935) has the molecular formula C13H18ClF2N and a molecular weight of 261.74 g/mol. Its IUPAC name is 4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride
PubChem CID131637935
Molecular FormulaC13H18ClF2N
Molecular Weight261.74 g/mol
Exact Mass261.11
IUPAC Name4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride
SMILESCc1ccccc1C1(N)CCC(F)(F)CC1.Cl
InChIInChI=1S/C13H17F2N.ClH/c1-10-4-2-3-5-11(10)12(16)6-8-13(14,15)9-7-12;/h2-5H,6-9,16H2,1H3;1H
InChIKeyUGVOYVMODKWYMI-UHFFFAOYSA-N
XLogP3.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of 4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride (CID 131637935) is 4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for 4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride is Cc1ccccc1C1(N)CCC(F)(F)CC1.Cl.
What is the InChIKey of 4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is UGVOYVMODKWYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N.ClH/c1-10-4-2-3-5-11(10)12(16)6-8-13(14,15)9-7-12;/h2-5H,6-9,16H2,1H3;1H.
What are the key properties of 4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride?
4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 261.74 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(2-methylphenyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 131637935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).