N-(difluoromethyl)cyclohexanecarboxamide

C8H13F2NO — CID 140663407

IUPACN-(difluoromethyl)cyclohexanecarboxamide
SMILESO=C(NC(F)F)C1CCCCC1
InChIInChI=1S/C8H13F2NO/c9-8(10)11-7(12)6-4-2-1-3-5-6/h6,8H,1-5H2,(H,11,12)
InChIKeyBUWRUSPTLHHBCV-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.91
Rot. Bonds2

About N-(difluoromethyl)cyclohexanecarboxamide

N-(difluoromethyl)cyclohexanecarboxamide (PubChem CID 140663407) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is N-(difluoromethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(difluoromethyl)cyclohexanecarboxamide
PubChem CID140663407
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC NameN-(difluoromethyl)cyclohexanecarboxamide
SMILESO=C(NC(F)F)C1CCCCC1
InChIInChI=1S/C8H13F2NO/c9-8(10)11-7(12)6-4-2-1-3-5-6/h6,8H,1-5H2,(H,11,12)
InChIKeyBUWRUSPTLHHBCV-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)cyclohexanecarboxamide?
The IUPAC name of N-(difluoromethyl)cyclohexanecarboxamide (CID 140663407) is N-(difluoromethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(difluoromethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(difluoromethyl)cyclohexanecarboxamide is O=C(NC(F)F)C1CCCCC1.
What is the InChIKey of N-(difluoromethyl)cyclohexanecarboxamide?
The InChIKey is BUWRUSPTLHHBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)11-7(12)6-4-2-1-3-5-6/h6,8H,1-5H2,(H,11,12).
What are the key properties of N-(difluoromethyl)cyclohexanecarboxamide?
N-(difluoromethyl)cyclohexanecarboxamide has a molecular weight of 177.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)cyclohexanecarboxamide is sourced from PubChem (CID 140663407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).