1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol

C9H13F2NO — CID 79108243

IUPAC1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(C(F)F)c1
InChIInChI=1S/C9H13F2NO/c1-2-3-8(13)7-4-5-12(6-7)9(10)11/h4-6,8-9,13H,2-3H2,1H3
InChIKeyOGOIHGMVTOZPPE-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.72
Rot. Bonds4

About 1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol

1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol (PubChem CID 79108243) has the molecular formula C9H13F2NO and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol
PubChem CID79108243
Molecular FormulaC9H13F2NO
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol
SMILESCCCC(O)c1ccn(C(F)F)c1
InChIInChI=1S/C9H13F2NO/c1-2-3-8(13)7-4-5-12(6-7)9(10)11/h4-6,8-9,13H,2-3H2,1H3
InChIKeyOGOIHGMVTOZPPE-UHFFFAOYSA-N
XLogP2.72
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol?
The IUPAC name of 1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol (CID 79108243) is 1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol?
The canonical SMILES for 1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol is CCCC(O)c1ccn(C(F)F)c1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol?
The InChIKey is OGOIHGMVTOZPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-2-3-8(13)7-4-5-12(6-7)9(10)11/h4-6,8-9,13H,2-3H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol?
1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol has a molecular weight of 189.21 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrrol-3-yl]butan-1-ol is sourced from PubChem (CID 79108243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).