3,3-difluoro-N-propan-2-ylbutanamide

C7H13F2NO — CID 88915797

IUPAC3,3-difluoro-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)(F)F
InChIInChI=1S/C7H13F2NO/c1-5(2)10-6(11)4-7(3,8)9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyHEDVPHWFOGBJRR-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.56
Rot. Bonds3

About 3,3-difluoro-N-propan-2-ylbutanamide

3,3-difluoro-N-propan-2-ylbutanamide (PubChem CID 88915797) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3,3-difluoro-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3,3-difluoro-N-propan-2-ylbutanamide
PubChem CID88915797
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3,3-difluoro-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)CC(C)(F)F
InChIInChI=1S/C7H13F2NO/c1-5(2)10-6(11)4-7(3,8)9/h5H,4H2,1-3H3,(H,10,11)
InChIKeyHEDVPHWFOGBJRR-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-propan-2-ylbutanamide?
The IUPAC name of 3,3-difluoro-N-propan-2-ylbutanamide (CID 88915797) is 3,3-difluoro-N-propan-2-ylbutanamide.
What is the SMILES notation for 3,3-difluoro-N-propan-2-ylbutanamide?
The canonical SMILES for 3,3-difluoro-N-propan-2-ylbutanamide is CC(C)NC(=O)CC(C)(F)F.
What is the InChIKey of 3,3-difluoro-N-propan-2-ylbutanamide?
The InChIKey is HEDVPHWFOGBJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-5(2)10-6(11)4-7(3,8)9/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 3,3-difluoro-N-propan-2-ylbutanamide?
3,3-difluoro-N-propan-2-ylbutanamide has a molecular weight of 165.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-propan-2-ylbutanamide is sourced from PubChem (CID 88915797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).