4,4-difluoro-N,1-dimethylcyclohexan-1-amine

C8H15F2N — CID 89173911

IUPAC4,4-difluoro-N,1-dimethylcyclohexan-1-amine
SMILESCNC1(C)CCC(F)(F)CC1
InChIInChI=1S/C8H15F2N/c1-7(11-2)3-5-8(9,10)6-4-7/h11H,3-6H2,1-2H3
InChIKeyPCTCWPUPFKKDCQ-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.17
Rot. Bonds1

About 4,4-difluoro-N,1-dimethylcyclohexan-1-amine

4,4-difluoro-N,1-dimethylcyclohexan-1-amine (PubChem CID 89173911) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 4,4-difluoro-N,1-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N,1-dimethylcyclohexan-1-amine
PubChem CID89173911
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name4,4-difluoro-N,1-dimethylcyclohexan-1-amine
SMILESCNC1(C)CCC(F)(F)CC1
InChIInChI=1S/C8H15F2N/c1-7(11-2)3-5-8(9,10)6-4-7/h11H,3-6H2,1-2H3
InChIKeyPCTCWPUPFKKDCQ-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N,1-dimethylcyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-N,1-dimethylcyclohexan-1-amine (CID 89173911) is 4,4-difluoro-N,1-dimethylcyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-N,1-dimethylcyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-N,1-dimethylcyclohexan-1-amine is CNC1(C)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N,1-dimethylcyclohexan-1-amine?
The InChIKey is PCTCWPUPFKKDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-7(11-2)3-5-8(9,10)6-4-7/h11H,3-6H2,1-2H3.
What are the key properties of 4,4-difluoro-N,1-dimethylcyclohexan-1-amine?
4,4-difluoro-N,1-dimethylcyclohexan-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N,1-dimethylcyclohexan-1-amine is sourced from PubChem (CID 89173911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).