N-(2,2-difluorobutyl)cyclopropanecarboxamide

C8H13F2NO — CID 88983003

IUPACN-(2,2-difluorobutyl)cyclopropanecarboxamide
SMILESCCC(F)(F)CNC(=O)C1CC1
InChIInChI=1S/C8H13F2NO/c1-2-8(9,10)5-11-7(12)6-3-4-6/h6H,2-5H2,1H3,(H,11,12)
InChIKeyVTDWKUUKEYPGLJ-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.56
Rot. Bonds4

About N-(2,2-difluorobutyl)cyclopropanecarboxamide

N-(2,2-difluorobutyl)cyclopropanecarboxamide (PubChem CID 88983003) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is N-(2,2-difluorobutyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2,2-difluorobutyl)cyclopropanecarboxamide
PubChem CID88983003
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC NameN-(2,2-difluorobutyl)cyclopropanecarboxamide
SMILESCCC(F)(F)CNC(=O)C1CC1
InChIInChI=1S/C8H13F2NO/c1-2-8(9,10)5-11-7(12)6-3-4-6/h6H,2-5H2,1H3,(H,11,12)
InChIKeyVTDWKUUKEYPGLJ-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorobutyl)cyclopropanecarboxamide?
The IUPAC name of N-(2,2-difluorobutyl)cyclopropanecarboxamide (CID 88983003) is N-(2,2-difluorobutyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2,2-difluorobutyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2,2-difluorobutyl)cyclopropanecarboxamide is CCC(F)(F)CNC(=O)C1CC1.
What is the InChIKey of N-(2,2-difluorobutyl)cyclopropanecarboxamide?
The InChIKey is VTDWKUUKEYPGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-2-8(9,10)5-11-7(12)6-3-4-6/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of N-(2,2-difluorobutyl)cyclopropanecarboxamide?
N-(2,2-difluorobutyl)cyclopropanecarboxamide has a molecular weight of 177.19 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-(2,2-difluorobutyl)cyclopropanecarboxamide is sourced from PubChem (CID 88983003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).