3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol

C9H15F2NO — CID 142059557

IUPAC3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol
SMILESC=CC(F)(F)C(O)CC1CCCN1
InChIInChI=1S/C9H15F2NO/c1-2-9(10,11)8(13)6-7-4-3-5-12-7/h2,7-8,12-13H,1,3-6H2
InChIKeyFELYWXZSTRKLTH-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.31
Rot. Bonds4

About 3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol

3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol (PubChem CID 142059557) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol.

Molecular Properties

Compound Name3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol
PubChem CID142059557
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol
SMILESC=CC(F)(F)C(O)CC1CCCN1
InChIInChI=1S/C9H15F2NO/c1-2-9(10,11)8(13)6-7-4-3-5-12-7/h2,7-8,12-13H,1,3-6H2
InChIKeyFELYWXZSTRKLTH-UHFFFAOYSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol 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

2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine
CID 131064786
1-amino-2-pyrrolidin-2-ylethanol
CID 155698617
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
3-pyrrolidin-2-ylpropane-1,2-diol
CID 67326252
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
2-prop-2-enyl(213C)azolidine
CID 173137372
(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
CID 103795786
2-(3,3,3-trifluoro-2-methoxypropyl)piperidine
CID 84734554
pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid
CID 159288961
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol?
The IUPAC name of 3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol (CID 142059557) is 3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol.
What is the SMILES notation for 3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol?
The canonical SMILES for 3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol is C=CC(F)(F)C(O)CC1CCCN1.
What is the InChIKey of 3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol?
The InChIKey is FELYWXZSTRKLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-2-9(10,11)8(13)6-7-4-3-5-12-7/h2,7-8,12-13H,1,3-6H2.
What are the key properties of 3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol?
3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol has a molecular weight of 191.22 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-pyrrolidin-2-ylpent-4-en-2-ol is sourced from PubChem (CID 142059557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).