2,2-difluoro-N-(4-oxocyclohexyl)butanamide

C10H15F2NO2 — CID 164651541

IUPAC2,2-difluoro-N-(4-oxocyclohexyl)butanamide
SMILESCCC(F)(F)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C10H15F2NO2/c1-2-10(11,12)9(15)13-7-3-5-8(14)6-4-7/h7H,2-6H2,1H3,(H,13,15)
InChIKeyYATDFOWHHYMWSB-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.66
Rot. Bonds3

About 2,2-difluoro-N-(4-oxocyclohexyl)butanamide

2,2-difluoro-N-(4-oxocyclohexyl)butanamide (PubChem CID 164651541) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 2,2-difluoro-N-(4-oxocyclohexyl)butanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(4-oxocyclohexyl)butanamide
PubChem CID164651541
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name2,2-difluoro-N-(4-oxocyclohexyl)butanamide
SMILESCCC(F)(F)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C10H15F2NO2/c1-2-10(11,12)9(15)13-7-3-5-8(14)6-4-7/h7H,2-6H2,1H3,(H,13,15)
InChIKeyYATDFOWHHYMWSB-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(4-oxocyclohexyl)butanamide?
The IUPAC name of 2,2-difluoro-N-(4-oxocyclohexyl)butanamide (CID 164651541) is 2,2-difluoro-N-(4-oxocyclohexyl)butanamide.
What is the SMILES notation for 2,2-difluoro-N-(4-oxocyclohexyl)butanamide?
The canonical SMILES for 2,2-difluoro-N-(4-oxocyclohexyl)butanamide is CCC(F)(F)C(=O)NC1CCC(=O)CC1.
What is the InChIKey of 2,2-difluoro-N-(4-oxocyclohexyl)butanamide?
The InChIKey is YATDFOWHHYMWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-2-10(11,12)9(15)13-7-3-5-8(14)6-4-7/h7H,2-6H2,1H3,(H,13,15).
What are the key properties of 2,2-difluoro-N-(4-oxocyclohexyl)butanamide?
2,2-difluoro-N-(4-oxocyclohexyl)butanamide has a molecular weight of 219.23 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(4-oxocyclohexyl)butanamide is sourced from PubChem (CID 164651541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).