1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide

C14H22F4N2O — CID 69005328

IUPAC1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide
SMILESNC(=O)C1(NCC2CCC(F)(F)CC2)CCC(F)(F)CC1
InChIInChI=1S/C14H22F4N2O/c15-13(16)3-1-10(2-4-13)9-20-12(11(19)21)5-7-14(17,18)8-6-12/h10,20H,1-9H2,(H2,19,21)
InChIKeyOJPIMAZDASHPFQ-UHFFFAOYSA-N
MW310.34 g/mol
LogP2.83
Rot. Bonds4

About 1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide

1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 69005328) has the molecular formula C14H22F4N2O and a molecular weight of 310.34 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide
PubChem CID69005328
Molecular FormulaC14H22F4N2O
Molecular Weight310.34 g/mol
Exact Mass310.17
IUPAC Name1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide
SMILESNC(=O)C1(NCC2CCC(F)(F)CC2)CCC(F)(F)CC1
InChIInChI=1S/C14H22F4N2O/c15-13(16)3-1-10(2-4-13)9-20-12(11(19)21)5-7-14(17,18)8-6-12/h10,20H,1-9H2,(H2,19,21)
InChIKeyOJPIMAZDASHPFQ-UHFFFAOYSA-N
XLogP2.83
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide (CID 69005328) is 1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide is NC(=O)C1(NCC2CCC(F)(F)CC2)CCC(F)(F)CC1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is OJPIMAZDASHPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4N2O/c15-13(16)3-1-10(2-4-13)9-20-12(11(19)21)5-7-14(17,18)8-6-12/h10,20H,1-9H2,(H2,19,21).
What are the key properties of 1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide?
1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methylamino]-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 69005328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).