4-(difluoromethylidene)-N-methylcyclohexan-1-amine

C8H13F2N — CID 59640370

IUPAC4-(difluoromethylidene)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(=C(F)F)CC1
InChIInChI=1S/C8H13F2N/c1-11-7-4-2-6(3-5-7)8(9)10/h7,11H,2-5H2,1H3
InChIKeyWCGAWAVZGAPFFT-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.30
Rot. Bonds1

About 4-(difluoromethylidene)-N-methylcyclohexan-1-amine

4-(difluoromethylidene)-N-methylcyclohexan-1-amine (PubChem CID 59640370) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 4-(difluoromethylidene)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(difluoromethylidene)-N-methylcyclohexan-1-amine
PubChem CID59640370
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name4-(difluoromethylidene)-N-methylcyclohexan-1-amine
SMILESCNC1CCC(=C(F)F)CC1
InChIInChI=1S/C8H13F2N/c1-11-7-4-2-6(3-5-7)8(9)10/h7,11H,2-5H2,1H3
InChIKeyWCGAWAVZGAPFFT-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(difluoromethylidene)-N-methylcyclohexan-1-amine (CID 59640370) is 4-(difluoromethylidene)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(difluoromethylidene)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(difluoromethylidene)-N-methylcyclohexan-1-amine is CNC1CCC(=C(F)F)CC1.
What is the InChIKey of 4-(difluoromethylidene)-N-methylcyclohexan-1-amine?
The InChIKey is WCGAWAVZGAPFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-11-7-4-2-6(3-5-7)8(9)10/h7,11H,2-5H2,1H3.
What are the key properties of 4-(difluoromethylidene)-N-methylcyclohexan-1-amine?
4-(difluoromethylidene)-N-methylcyclohexan-1-amine has a molecular weight of 161.19 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 59640370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).