2-(difluoromethyl)-4,4-difluorobutanamide

C5H7F4NO — CID 138973948

IUPAC2-(difluoromethyl)-4,4-difluorobutanamide
SMILESNC(=O)C(CC(F)F)C(F)F
InChIInChI=1S/C5H7F4NO/c6-3(7)1-2(4(8)9)5(10)11/h2-4H,1H2,(H2,10,11)
InChIKeyIUURADPBCVFEBR-UHFFFAOYSA-N
MW173.11 g/mol
LogP1.01
Rot. Bonds4

About 2-(difluoromethyl)-4,4-difluorobutanamide

2-(difluoromethyl)-4,4-difluorobutanamide (PubChem CID 138973948) has the molecular formula C5H7F4NO and a molecular weight of 173.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-4,4-difluorobutanamide.

Molecular Properties

Compound Name2-(difluoromethyl)-4,4-difluorobutanamide
PubChem CID138973948
Molecular FormulaC5H7F4NO
Molecular Weight173.11 g/mol
Exact Mass173.05
IUPAC Name2-(difluoromethyl)-4,4-difluorobutanamide
SMILESNC(=O)C(CC(F)F)C(F)F
InChIInChI=1S/C5H7F4NO/c6-3(7)1-2(4(8)9)5(10)11/h2-4H,1H2,(H2,10,11)
InChIKeyIUURADPBCVFEBR-UHFFFAOYSA-N
XLogP1.01
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.11
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4,4-difluorobutanamide?
The IUPAC name of 2-(difluoromethyl)-4,4-difluorobutanamide (CID 138973948) is 2-(difluoromethyl)-4,4-difluorobutanamide.
What is the SMILES notation for 2-(difluoromethyl)-4,4-difluorobutanamide?
The canonical SMILES for 2-(difluoromethyl)-4,4-difluorobutanamide is NC(=O)C(CC(F)F)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4,4-difluorobutanamide?
The InChIKey is IUURADPBCVFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4NO/c6-3(7)1-2(4(8)9)5(10)11/h2-4H,1H2,(H2,10,11).
What are the key properties of 2-(difluoromethyl)-4,4-difluorobutanamide?
2-(difluoromethyl)-4,4-difluorobutanamide has a molecular weight of 173.11 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4,4-difluorobutanamide is sourced from PubChem (CID 138973948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).