4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine

C17H29F2N — CID 129035356

IUPAC4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C17H29F2N/c1-2-11-20-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-17(18)19/h12-16,20H,2-11H2,1H3
InChIKeyZEPAAFQLHJXFNE-UHFFFAOYSA-N
MW285.42 g/mol
LogP5.13
Rot. Bonds5

About 4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine

4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine (PubChem CID 129035356) has the molecular formula C17H29F2N and a molecular weight of 285.42 g/mol. Its IUPAC name is 4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine
PubChem CID129035356
Molecular FormulaC17H29F2N
Molecular Weight285.42 g/mol
Exact Mass285.23
IUPAC Name4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C17H29F2N/c1-2-11-20-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-17(18)19/h12-16,20H,2-11H2,1H3
InChIKeyZEPAAFQLHJXFNE-UHFFFAOYSA-N
XLogP5.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(2,2-Difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine
CID 123744312
4-[4-[(Z)-2-fluoroprop-1-enyl]cyclohexyl]-N-methylcyclohexan-1-amine
CID 131968619
N-butyl-2-methylidene-4-[4-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexyl]butan-1-amine
CID 139457173
5-methyl-2-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43434643
4-propan-2-yl-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 62703705
N-[(4-ethylcyclohexyl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754067
N-[2-(4-methylcyclohexyl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756090
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 103276421
N-hex-5-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104581723
N-pent-4-en-2-yl-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844790
1-(4,4-difluorocyclohexyl)-N-ethylbut-3-en-1-amine
CID 105108104
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108110

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine (CID 129035356) is 4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine is CCCNC1CCC(C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine?
The InChIKey is ZEPAAFQLHJXFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F2N/c1-2-11-20-16-9-7-15(8-10-16)14-5-3-13(4-6-14)12-17(18)19/h12-16,20H,2-11H2,1H3.
What are the key properties of 4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine?
4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine has a molecular weight of 285.42 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-difluoroethenyl)cyclohexyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 129035356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).