N-(3,3-difluoropropyl)butanamide

C7H13F2NO — CID 147098310

IUPACN-(3,3-difluoropropyl)butanamide
SMILESCCCC(=O)NCCC(F)F
InChIInChI=1S/C7H13F2NO/c1-2-3-7(11)10-5-4-6(8)9/h6H,2-5H2,1H3,(H,10,11)
InChIKeyBKDWTDLSMLUACW-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.56
Rot. Bonds5

About N-(3,3-difluoropropyl)butanamide

N-(3,3-difluoropropyl)butanamide (PubChem CID 147098310) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)butanamide.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)butanamide
PubChem CID147098310
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC NameN-(3,3-difluoropropyl)butanamide
SMILESCCCC(=O)NCCC(F)F
InChIInChI=1S/C7H13F2NO/c1-2-3-7(11)10-5-4-6(8)9/h6H,2-5H2,1H3,(H,10,11)
InChIKeyBKDWTDLSMLUACW-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
N-[2-[2-(butanoylamino)ethyldisulfanyl]ethyl]butanamide
CID 56621011
N-(2-aminoethyl)butanamide;ethane
CID 143117924
2,4-bis(butanoylamino)-N-[2-[(2-chloroacetyl)amino]ethyl]butanamide
CID 123782066
N-[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]butanamide;N-methyl-N'-[3-[[3-[[3-[[3-[[3-(3-methylbutylamino)-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanediamide
CID 158652693
N-(4-acetamidobutyl)butanamide
CID 110417477
N-(3-iodopropyl)butanamide
CID 114504418
N-(3,3-dimethylbutyl)butanamide
CID 115580246
N-[3-(methylamino)propyl]butanamide
CID 43600791
N-(3-hydroxy-3-phenylpropyl)butanamide;propane
CID 143470750

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)butanamide?
The IUPAC name of N-(3,3-difluoropropyl)butanamide (CID 147098310) is N-(3,3-difluoropropyl)butanamide.
What is the SMILES notation for N-(3,3-difluoropropyl)butanamide?
The canonical SMILES for N-(3,3-difluoropropyl)butanamide is CCCC(=O)NCCC(F)F.
What is the InChIKey of N-(3,3-difluoropropyl)butanamide?
The InChIKey is BKDWTDLSMLUACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-2-3-7(11)10-5-4-6(8)9/h6H,2-5H2,1H3,(H,10,11).
What are the key properties of N-(3,3-difluoropropyl)butanamide?
N-(3,3-difluoropropyl)butanamide has a molecular weight of 165.18 g/mol, XLogP of 1.56, 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)butanamide is sourced from PubChem (CID 147098310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).