4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine

C17H30F2N2O — CID 143238892

IUPAC4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine
SMILESC/C=C\C(=C/CC)CCCN.NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H19N.C7H11F2NO/c1-3-6-10(7-4-2)8-5-9-11;8-7(9)3-1-5(2-4-7)6(10)11/h3,6-7H,4-5,8-9,11H2,1-2H3;5H,1-4H2,(H2,10,11)/b6-3-,10-7+;
InChIKeyTXKBKMNHQBDVCG-GHXFIXNHSA-N
MW316.44 g/mol
LogP3.93
Rot. Bonds6

About 4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine

4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine (PubChem CID 143238892) has the molecular formula C17H30F2N2O and a molecular weight of 316.44 g/mol. Its IUPAC name is 4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine.

Molecular Properties

Compound Name4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine
PubChem CID143238892
Molecular FormulaC17H30F2N2O
Molecular Weight316.44 g/mol
Exact Mass316.23
IUPAC Name4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine
SMILESC/C=C\C(=C/CC)CCCN.NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H19N.C7H11F2NO/c1-3-6-10(7-4-2)8-5-9-11;8-7(9)3-1-5(2-4-7)6(10)11/h3,6-7H,4-5,8-9,11H2,1-2H3;5H,1-4H2,(H2,10,11)/b6-3-,10-7+;
InChIKeyTXKBKMNHQBDVCG-GHXFIXNHSA-N
XLogP3.93
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine?
The IUPAC name of 4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine (CID 143238892) is 4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine.
What is the SMILES notation for 4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine?
The canonical SMILES for 4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine is C/C=C\C(=C/CC)CCCN.NC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine?
The InChIKey is TXKBKMNHQBDVCG-GHXFIXNHSA-N. The full InChI is InChI=1S/C10H19N.C7H11F2NO/c1-3-6-10(7-4-2)8-5-9-11;8-7(9)3-1-5(2-4-7)6(10)11/h3,6-7H,4-5,8-9,11H2,1-2H3;5H,1-4H2,(H2,10,11)/b6-3-,10-7+;.
What are the key properties of 4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine?
4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine has a molecular weight of 316.44 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorocyclohexane-1-carboxamide;(Z)-4-[(Z)-prop-1-enyl]hept-4-en-1-amine is sourced from PubChem (CID 143238892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).