3,3-difluoro-N-pyrrol-1-ylbutanamide

C8H10F2N2O — CID 130685640

IUPAC3,3-difluoro-N-pyrrol-1-ylbutanamide
SMILESCC(F)(F)CC(=O)Nn1cccc1
InChIInChI=1S/C8H10F2N2O/c1-8(9,10)6-7(13)11-12-4-2-3-5-12/h2-5H,6H2,1H3,(H,11,13)
InChIKeyMJUGAWHHWSKRRV-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.60
Rot. Bonds3

About 3,3-difluoro-N-pyrrol-1-ylbutanamide

3,3-difluoro-N-pyrrol-1-ylbutanamide (PubChem CID 130685640) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 3,3-difluoro-N-pyrrol-1-ylbutanamide.

Molecular Properties

Compound Name3,3-difluoro-N-pyrrol-1-ylbutanamide
PubChem CID130685640
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name3,3-difluoro-N-pyrrol-1-ylbutanamide
SMILESCC(F)(F)CC(=O)Nn1cccc1
InChIInChI=1S/C8H10F2N2O/c1-8(9,10)6-7(13)11-12-4-2-3-5-12/h2-5H,6H2,1H3,(H,11,13)
InChIKeyMJUGAWHHWSKRRV-UHFFFAOYSA-N
XLogP1.60
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-pyrrol-1-ylbutanamide?
The IUPAC name of 3,3-difluoro-N-pyrrol-1-ylbutanamide (CID 130685640) is 3,3-difluoro-N-pyrrol-1-ylbutanamide.
What is the SMILES notation for 3,3-difluoro-N-pyrrol-1-ylbutanamide?
The canonical SMILES for 3,3-difluoro-N-pyrrol-1-ylbutanamide is CC(F)(F)CC(=O)Nn1cccc1.
What is the InChIKey of 3,3-difluoro-N-pyrrol-1-ylbutanamide?
The InChIKey is MJUGAWHHWSKRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-8(9,10)6-7(13)11-12-4-2-3-5-12/h2-5H,6H2,1H3,(H,11,13).
What are the key properties of 3,3-difluoro-N-pyrrol-1-ylbutanamide?
3,3-difluoro-N-pyrrol-1-ylbutanamide has a molecular weight of 188.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-pyrrol-1-ylbutanamide is sourced from PubChem (CID 130685640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).