1-(4,4-difluorobutan-2-yl)pyrrole

C8H11F2N — CID 130621780

IUPAC1-(4,4-difluorobutan-2-yl)pyrrole
SMILESCC(CC(F)F)n1cccc1
InChIInChI=1S/C8H11F2N/c1-7(6-8(9)10)11-4-2-3-5-11/h2-5,7-8H,6H2,1H3
InChIKeyJSMCOKWCAKYLED-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.70
Rot. Bonds3

About 1-(4,4-difluorobutan-2-yl)pyrrole

1-(4,4-difluorobutan-2-yl)pyrrole (PubChem CID 130621780) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 1-(4,4-difluorobutan-2-yl)pyrrole.

Molecular Properties

Compound Name1-(4,4-difluorobutan-2-yl)pyrrole
PubChem CID130621780
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name1-(4,4-difluorobutan-2-yl)pyrrole
SMILESCC(CC(F)F)n1cccc1
InChIInChI=1S/C8H11F2N/c1-7(6-8(9)10)11-4-2-3-5-11/h2-5,7-8H,6H2,1H3
InChIKeyJSMCOKWCAKYLED-UHFFFAOYSA-N
XLogP2.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(4,4-difluorobutan-2-yl)pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-1-methoxypropan-2-yl]pyrrole
CID 2100736
1-hexan-2-ylpyrrole
CID 62200835
1-(1-fluoropropyl)pyrrole
CID 66718667
1-propan-2-ylpyrrole
CID 527511
3-pyrrol-1-ylbutanoyl chloride
CID 54402977
1,3-di(pyrrol-1-yl)butan-1-one
CID 135036622
4-methyl-2-pyrrol-1-ylpentan-1-ol
CID 104549267
3-pyrrol-1-ylbutanehydrazide;hydrochloride
CID 130629139
1-(6-methoxyoct-4-yn-2-yl)pyrrole
CID 142811803
2-(3-pyrrol-1-ylbutanoylamino)propanoic acid
CID 115731110
1-[di(pyrrol-1-yl)methyl]pyrrole
CID 91186202
1-but-3-yn-2-ylpyrrole
CID 114418716

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobutan-2-yl)pyrrole?
The IUPAC name of 1-(4,4-difluorobutan-2-yl)pyrrole (CID 130621780) is 1-(4,4-difluorobutan-2-yl)pyrrole.
What is the SMILES notation for 1-(4,4-difluorobutan-2-yl)pyrrole?
The canonical SMILES for 1-(4,4-difluorobutan-2-yl)pyrrole is CC(CC(F)F)n1cccc1.
What is the InChIKey of 1-(4,4-difluorobutan-2-yl)pyrrole?
The InChIKey is JSMCOKWCAKYLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-7(6-8(9)10)11-4-2-3-5-11/h2-5,7-8H,6H2,1H3.
What are the key properties of 1-(4,4-difluorobutan-2-yl)pyrrole?
1-(4,4-difluorobutan-2-yl)pyrrole has a molecular weight of 159.18 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobutan-2-yl)pyrrole is sourced from PubChem (CID 130621780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).