N-cyclobutyl-3,3-difluoro-2-methylbutanamide

C9H15F2NO — CID 131064773

IUPACN-cyclobutyl-3,3-difluoro-2-methylbutanamide
SMILESCC(C(=O)NC1CCC1)C(C)(F)F
InChIInChI=1S/C9H15F2NO/c1-6(9(2,10)11)8(13)12-7-4-3-5-7/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyAFGXZXWCLOFMPR-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.95
Rot. Bonds3

About N-cyclobutyl-3,3-difluoro-2-methylbutanamide

N-cyclobutyl-3,3-difluoro-2-methylbutanamide (PubChem CID 131064773) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N-cyclobutyl-3,3-difluoro-2-methylbutanamide.

Molecular Properties

Compound NameN-cyclobutyl-3,3-difluoro-2-methylbutanamide
PubChem CID131064773
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN-cyclobutyl-3,3-difluoro-2-methylbutanamide
SMILESCC(C(=O)NC1CCC1)C(C)(F)F
InChIInChI=1S/C9H15F2NO/c1-6(9(2,10)11)8(13)12-7-4-3-5-7/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyAFGXZXWCLOFMPR-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3,3-difluoro-2-methylbutanamide?
The IUPAC name of N-cyclobutyl-3,3-difluoro-2-methylbutanamide (CID 131064773) is N-cyclobutyl-3,3-difluoro-2-methylbutanamide.
What is the SMILES notation for N-cyclobutyl-3,3-difluoro-2-methylbutanamide?
The canonical SMILES for N-cyclobutyl-3,3-difluoro-2-methylbutanamide is CC(C(=O)NC1CCC1)C(C)(F)F.
What is the InChIKey of N-cyclobutyl-3,3-difluoro-2-methylbutanamide?
The InChIKey is AFGXZXWCLOFMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-6(9(2,10)11)8(13)12-7-4-3-5-7/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-cyclobutyl-3,3-difluoro-2-methylbutanamide?
N-cyclobutyl-3,3-difluoro-2-methylbutanamide has a molecular weight of 191.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3,3-difluoro-2-methylbutanamide is sourced from PubChem (CID 131064773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).