N-benzylidene-4,4-difluorocyclohexane-1-carboxamide

C14H15F2NO — CID 24755222

IUPACN-benzylidene-4,4-difluorocyclohexane-1-carboxamide
SMILESO=C(/N=C/c1ccccc1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H15F2NO/c15-14(16)8-6-12(7-9-14)13(18)17-10-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2/b17-10+
InChIKeyZRPUDFFZZMMBQG-LICLKQGHSA-N
MW251.28 g/mol
LogP3.46
Rot. Bonds2

About N-benzylidene-4,4-difluorocyclohexane-1-carboxamide

N-benzylidene-4,4-difluorocyclohexane-1-carboxamide (PubChem CID 24755222) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is N-benzylidene-4,4-difluorocyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-benzylidene-4,4-difluorocyclohexane-1-carboxamide
PubChem CID24755222
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC NameN-benzylidene-4,4-difluorocyclohexane-1-carboxamide
SMILESO=C(/N=C/c1ccccc1)C1CCC(F)(F)CC1
InChIInChI=1S/C14H15F2NO/c15-14(16)8-6-12(7-9-14)13(18)17-10-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2/b17-10+
InChIKeyZRPUDFFZZMMBQG-LICLKQGHSA-N
XLogP3.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzylidene-4,4-difluorocyclohexane-1-carboxamide?
The IUPAC name of N-benzylidene-4,4-difluorocyclohexane-1-carboxamide (CID 24755222) is N-benzylidene-4,4-difluorocyclohexane-1-carboxamide.
What is the SMILES notation for N-benzylidene-4,4-difluorocyclohexane-1-carboxamide?
The canonical SMILES for N-benzylidene-4,4-difluorocyclohexane-1-carboxamide is O=C(/N=C/c1ccccc1)C1CCC(F)(F)CC1.
What is the InChIKey of N-benzylidene-4,4-difluorocyclohexane-1-carboxamide?
The InChIKey is ZRPUDFFZZMMBQG-LICLKQGHSA-N. The full InChI is InChI=1S/C14H15F2NO/c15-14(16)8-6-12(7-9-14)13(18)17-10-11-4-2-1-3-5-11/h1-5,10,12H,6-9H2/b17-10+.
What are the key properties of N-benzylidene-4,4-difluorocyclohexane-1-carboxamide?
N-benzylidene-4,4-difluorocyclohexane-1-carboxamide has a molecular weight of 251.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylidene-4,4-difluorocyclohexane-1-carboxamide is sourced from PubChem (CID 24755222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).