4-(3,3-difluoropyrrolidin-1-yl)butanoic acid

C8H13F2NO2 — CID 116991577

IUPAC4-(3,3-difluoropyrrolidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c9-8(10)3-5-11(6-8)4-1-2-7(12)13/h1-6H2,(H,12,13)
InChIKeyGSOONXTZCHPLRK-UHFFFAOYSA-N
MW193.19 g/mol
LogP1.19
Rot. Bonds4

About 4-(3,3-difluoropyrrolidin-1-yl)butanoic acid

4-(3,3-difluoropyrrolidin-1-yl)butanoic acid (PubChem CID 116991577) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)butanoic acid
PubChem CID116991577
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c9-8(10)3-5-11(6-8)4-1-2-7(12)13/h1-6H2,(H,12,13)
InChIKeyGSOONXTZCHPLRK-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,3-difluoropyrrolidin-1-yl)butanoic acid 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-(3-Carboxypropyl)-1-Methylpyrrolidin-1-Ium
CID 21578870
4-(Pyrrolidin-1-yl)butanoic acid hydrochloride
CID 14855682
4-(1-Methylpyrrolidin-1-ium-1-yl)butanoic acid chloride
CID 90655224
1-Pyrrolidinebutanoic acid
CID 14855681
1-(2,2,2-Trifluoroethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 91647567
1-(2,2,2-Trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 21076134
1-(2,2-Difluoroethyl)pyrrolidine-3-carboxylic acid
CID 63032421
3-Carboxypropyl(trimethyl)azanium;2,2,2-trifluoroacetate
CID 87558206
3-Carboxypropyl(trimethyl)azanium;2,2,2-trifluoroacetic acid
CID 87559216
(3R)-1-(2,2-difluoroethyl)pyrrolidine-3-carboxylic acid
CID 89261207
(3R)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxylic acid
CID 94918340
4-(3,3-Difluoropyrrolidin-1-yl)-4-oxobutanoic acid
CID 116991710

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)butanoic acid?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)butanoic acid (CID 116991577) is 4-(3,3-difluoropyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)butanoic acid is O=C(O)CCCN1CCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)butanoic acid?
The InChIKey is GSOONXTZCHPLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-8(10)3-5-11(6-8)4-1-2-7(12)13/h1-6H2,(H,12,13).
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)butanoic acid?
4-(3,3-difluoropyrrolidin-1-yl)butanoic acid has a molecular weight of 193.19 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 116991577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).