N-butyl-2,2-difluoropropanamide

C7H13F2NO — CID 88580779

IUPACN-butyl-2,2-difluoropropanamide
SMILESCCCCNC(=O)C(C)(F)F
InChIInChI=1S/C7H13F2NO/c1-3-4-5-10-6(11)7(2,8)9/h3-5H2,1-2H3,(H,10,11)
InChIKeyAYOWYPSYAAPZOB-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.56
Rot. Bonds4

About N-butyl-2,2-difluoropropanamide

N-butyl-2,2-difluoropropanamide (PubChem CID 88580779) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is N-butyl-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-butyl-2,2-difluoropropanamide
PubChem CID88580779
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC NameN-butyl-2,2-difluoropropanamide
SMILESCCCCNC(=O)C(C)(F)F
InChIInChI=1S/C7H13F2NO/c1-3-4-5-10-6(11)7(2,8)9/h3-5H2,1-2H3,(H,10,11)
InChIKeyAYOWYPSYAAPZOB-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-difluoropropanamide?
The IUPAC name of N-butyl-2,2-difluoropropanamide (CID 88580779) is N-butyl-2,2-difluoropropanamide.
What is the SMILES notation for N-butyl-2,2-difluoropropanamide?
The canonical SMILES for N-butyl-2,2-difluoropropanamide is CCCCNC(=O)C(C)(F)F.
What is the InChIKey of N-butyl-2,2-difluoropropanamide?
The InChIKey is AYOWYPSYAAPZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-3-4-5-10-6(11)7(2,8)9/h3-5H2,1-2H3,(H,10,11).
What are the key properties of N-butyl-2,2-difluoropropanamide?
N-butyl-2,2-difluoropropanamide has a molecular weight of 165.18 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2-difluoropropanamide is sourced from PubChem (CID 88580779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).