N-(3,3-difluoropropyl)-3-methylbutanamide

C8H15F2NO — CID 147459188

IUPACN-(3,3-difluoropropyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCC(F)F
InChIInChI=1S/C8H15F2NO/c1-6(2)5-8(12)11-4-3-7(9)10/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyDZPDEGKLWFEQOQ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.80
Rot. Bonds5

About N-(3,3-difluoropropyl)-3-methylbutanamide

N-(3,3-difluoropropyl)-3-methylbutanamide (PubChem CID 147459188) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)-3-methylbutanamide
PubChem CID147459188
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC NameN-(3,3-difluoropropyl)-3-methylbutanamide
SMILESCC(C)CC(=O)NCCC(F)F
InChIInChI=1S/C8H15F2NO/c1-6(2)5-8(12)11-4-3-7(9)10/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyDZPDEGKLWFEQOQ-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)-3-methylbutanamide?
The IUPAC name of N-(3,3-difluoropropyl)-3-methylbutanamide (CID 147459188) is N-(3,3-difluoropropyl)-3-methylbutanamide.
What is the SMILES notation for N-(3,3-difluoropropyl)-3-methylbutanamide?
The canonical SMILES for N-(3,3-difluoropropyl)-3-methylbutanamide is CC(C)CC(=O)NCCC(F)F.
What is the InChIKey of N-(3,3-difluoropropyl)-3-methylbutanamide?
The InChIKey is DZPDEGKLWFEQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)5-8(12)11-4-3-7(9)10/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-(3,3-difluoropropyl)-3-methylbutanamide?
N-(3,3-difluoropropyl)-3-methylbutanamide has a molecular weight of 179.21 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)-3-methylbutanamide is sourced from PubChem (CID 147459188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).