4,4-difluoropyrrolidine-3-carboxylic acid

C5H7F2NO2 — CID 83479519

IUPAC4,4-difluoropyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1(F)F
InChIInChI=1S/C5H7F2NO2/c6-5(7)2-8-1-3(5)4(9)10/h3,8H,1-2H2,(H,9,10)
InChIKeyYUEIOVYMYKQWLD-UHFFFAOYSA-N
MW151.11 g/mol
LogP-0.07
Rot. Bonds1

About 4,4-difluoropyrrolidine-3-carboxylic acid

4,4-difluoropyrrolidine-3-carboxylic acid (PubChem CID 83479519) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 4,4-difluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoropyrrolidine-3-carboxylic acid
PubChem CID83479519
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name4,4-difluoropyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1(F)F
InChIInChI=1S/C5H7F2NO2/c6-5(7)2-8-1-3(5)4(9)10/h3,8H,1-2H2,(H,9,10)
InChIKeyYUEIOVYMYKQWLD-UHFFFAOYSA-N
XLogP-0.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Pyrrolidinecarboxylic acid
CID 3034645
(3R)-3-Pyrrolidinecarboxylic acid
CID 1501970
rac-(3R,4R)-4-methylpyrrolidine-3-carboxylic acid
CID 1512685
(3R)-pyrrolidine-3-carboxylic acid hydrochloride
CID 43810916
Pyrrolidine-3-carboxylic acid hydrochloride
CID 44890816
3-(Trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 45026867
3-(Trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 47002768
(3S,4S)-4-(Trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 90424808
3-Fluoropyrrolidine-3-carboxylic acid
CID 55300604
rac-(3R,4R)-4-(difluoromethyl)pyrrolidine-3-carboxylic acid
CID 54595330
4,4-Difluoropyrrolidine-3-carboxylic acid hydrochloride
CID 84719098
1-(2,2,2-Trifluoroethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 91647567

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 4,4-difluoropyrrolidine-3-carboxylic acid (CID 83479519) is 4,4-difluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4,4-difluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 4,4-difluoropyrrolidine-3-carboxylic acid is O=C(O)C1CNCC1(F)F.
What is the InChIKey of 4,4-difluoropyrrolidine-3-carboxylic acid?
The InChIKey is YUEIOVYMYKQWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-5(7)2-8-1-3(5)4(9)10/h3,8H,1-2H2,(H,9,10).
What are the key properties of 4,4-difluoropyrrolidine-3-carboxylic acid?
4,4-difluoropyrrolidine-3-carboxylic acid has a molecular weight of 151.11 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83479519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).