3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide

C9H15F2NO2 — CID 87334074

IUPAC3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(F)C(F)C1
InChIInChI=1S/C9H15F2NO2/c1-12(14-2)9(13)6-3-4-7(10)8(11)5-6/h6-8H,3-5H2,1-2H3
InChIKeyGIMNDNWOTFIHSO-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.48
Rot. Bonds2

About 3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide

3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide (PubChem CID 87334074) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide
PubChem CID87334074
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide
SMILESCON(C)C(=O)C1CCC(F)C(F)C1
InChIInChI=1S/C9H15F2NO2/c1-12(14-2)9(13)6-3-4-7(10)8(11)5-6/h6-8H,3-5H2,1-2H3
InChIKeyGIMNDNWOTFIHSO-UHFFFAOYSA-N
XLogP1.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide (CID 87334074) is 3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide is CON(C)C(=O)C1CCC(F)C(F)C1.
What is the InChIKey of 3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide?
The InChIKey is GIMNDNWOTFIHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-12(14-2)9(13)6-3-4-7(10)8(11)5-6/h6-8H,3-5H2,1-2H3.
What are the key properties of 3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide?
3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide has a molecular weight of 207.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 87334074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).