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

C17H29F2N — CID 123744312

IUPAC1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C17H29F2N/c1-2-16(20)15-9-7-14(8-10-15)13-5-3-12(4-6-13)11-17(18)19/h11-16H,2-10,20H2,1H3
InChIKeyXIUSQALXJSCHBP-UHFFFAOYSA-N
MW285.42 g/mol
LogP5.12
Rot. Bonds4

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

1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine (PubChem CID 123744312) has the molecular formula C17H29F2N and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine.

Molecular Properties

Compound Name1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine
PubChem CID123744312
Molecular FormulaC17H29F2N
Molecular Weight285.42 g/mol
Exact Mass285.23
IUPAC Name1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine
SMILESCCC(N)C1CCC(C2CCC(C=C(F)F)CC2)CC1
InChIInChI=1S/C17H29F2N/c1-2-16(20)15-9-7-14(8-10-15)13-5-3-12(4-6-13)11-17(18)19/h11-16H,2-10,20H2,1H3
InChIKeyXIUSQALXJSCHBP-UHFFFAOYSA-N
XLogP5.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.42
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine?
The IUPAC name of 1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine (CID 123744312) is 1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine.
What is the SMILES notation for 1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine?
The canonical SMILES for 1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine is CCC(N)C1CCC(C2CCC(C=C(F)F)CC2)CC1.
What is the InChIKey of 1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine?
The InChIKey is XIUSQALXJSCHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F2N/c1-2-16(20)15-9-7-14(8-10-15)13-5-3-12(4-6-13)11-17(18)19/h11-16H,2-10,20H2,1H3.
What are the key properties of 1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine?
1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine has a molecular weight of 285.42 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,2-difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine is sourced from PubChem (CID 123744312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).