2-(4,4-difluoropyrrolidin-2-yl)acetic acid

C6H9F2NO2 — CID 118102661

IUPAC2-(4,4-difluoropyrrolidin-2-yl)acetic acid
SMILESO=C(O)CC1CC(F)(F)CN1
InChIInChI=1S/C6H9F2NO2/c7-6(8)2-4(9-3-6)1-5(10)11/h4,9H,1-3H2,(H,10,11)
InChIKeyBCSOFHOWQXDZMC-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.46
Rot. Bonds2

About 2-(4,4-difluoropyrrolidin-2-yl)acetic acid

2-(4,4-difluoropyrrolidin-2-yl)acetic acid (PubChem CID 118102661) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 2-(4,4-difluoropyrrolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4,4-difluoropyrrolidin-2-yl)acetic acid
PubChem CID118102661
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name2-(4,4-difluoropyrrolidin-2-yl)acetic acid
SMILESO=C(O)CC1CC(F)(F)CN1
InChIInChI=1S/C6H9F2NO2/c7-6(8)2-4(9-3-6)1-5(10)11/h4,9H,1-3H2,(H,10,11)
InChIKeyBCSOFHOWQXDZMC-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Homoproline, (+)-
CID 2761541
CID 7014920
CID 7014920
(2R)-2-Pyrrolidineacetic acid
CID 5706675
2-(5-Oxopyrrolidin-2-yl)acetic acid
CID 25098
Homoproline, (A+-)-
CID 123784
2-(Pyrrolidin-2-yl)acetic acid hydrochloride
CID 12514707
2-[(2R)-pyrrolidin-2-yl]propanoic acid
CID 118727492
(S)-2-(2-Pyrrolidinyl)acetic acid hydrochloride
CID 2761540
(2R)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 118727497
(2S)-2-amino-2-[(2R)-pyrrolidin-2-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 118727499
methyl 2-((2R,4R)-4-fluoropyrrolidin-2-yl)acetate hydrochloride
CID 137952313
2-[(2R,4R)-4-fluoropyrrolidin-2-yl]acetic acid hydrochloride
CID 137952315

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropyrrolidin-2-yl)acetic acid?
The IUPAC name of 2-(4,4-difluoropyrrolidin-2-yl)acetic acid (CID 118102661) is 2-(4,4-difluoropyrrolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(4,4-difluoropyrrolidin-2-yl)acetic acid?
The canonical SMILES for 2-(4,4-difluoropyrrolidin-2-yl)acetic acid is O=C(O)CC1CC(F)(F)CN1.
What is the InChIKey of 2-(4,4-difluoropyrrolidin-2-yl)acetic acid?
The InChIKey is BCSOFHOWQXDZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-6(8)2-4(9-3-6)1-5(10)11/h4,9H,1-3H2,(H,10,11).
What are the key properties of 2-(4,4-difluoropyrrolidin-2-yl)acetic acid?
2-(4,4-difluoropyrrolidin-2-yl)acetic acid has a molecular weight of 165.14 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropyrrolidin-2-yl)acetic acid is sourced from PubChem (CID 118102661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).