4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide

C9H15F2NO2 — CID 67382437

IUPAC4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide
SMILESCOCNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO2/c1-14-6-12-8(13)7-2-4-9(10,11)5-3-7/h7H,2-6H2,1H3,(H,12,13)
InChIKeyKKQUCKURPQGBHR-UHFFFAOYSA-N
MW207.22 g/mol
LogP1.53
Rot. Bonds3

About 4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide

4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide (PubChem CID 67382437) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide
PubChem CID67382437
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide
SMILESCOCNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO2/c1-14-6-12-8(13)7-2-4-9(10,11)5-3-7/h7H,2-6H2,1H3,(H,12,13)
InChIKeyKKQUCKURPQGBHR-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide (CID 67382437) is 4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide is COCNC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide?
The InChIKey is KKQUCKURPQGBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-14-6-12-8(13)7-2-4-9(10,11)5-3-7/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide?
4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide has a molecular weight of 207.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(methoxymethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 67382437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).