(2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid

C7H11F2NO3 — CID 168737415

IUPAC(2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](OCC(F)F)CN1
InChIInChI=1S/C7H11F2NO3/c8-6(9)3-13-4-1-5(7(11)12)10-2-4/h4-6,10H,1-3H2,(H,11,12)/t4-,5+/m1/s1
InChIKeyYDFBQMPWUIQSBZ-UHNVWZDZSA-N
MW195.16 g/mol
LogP0.08
Rot. Bonds4

About (2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid

(2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid (PubChem CID 168737415) has the molecular formula C7H11F2NO3 and a molecular weight of 195.16 g/mol. Its IUPAC name is (2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid
PubChem CID168737415
Molecular FormulaC7H11F2NO3
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name(2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](OCC(F)F)CN1
InChIInChI=1S/C7H11F2NO3/c8-6(9)3-13-4-1-5(7(11)12)10-2-4/h4-6,10H,1-3H2,(H,11,12)/t4-,5+/m1/s1
InChIKeyYDFBQMPWUIQSBZ-UHNVWZDZSA-N
XLogP0.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-4-propoxypyrrolidine-2-carboxylic acid
CID 45116070
(2R,4R)-4-butoxypyrrolidine-2-carboxylic acid
CID 126667812
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691
(2S)-4-(2-phenylethoxy)pyrrolidine-2-carboxylic acid
CID 70059420
(1S)-2-(2,2-difluoroethoxy)cyclopropane-1-carboxylic acid
CID 176790380
3-(2,2-difluoroethoxy)azetidine-1-carboxylic acid
CID 118510254
(2S,4S)-4-[(2-methylphenyl)methoxy]pyrrolidine-2-carboxylic acid
CID 168737449
(2S,4R)-4-(4-phenylbutoxy)pyrrolidine-2-carboxylic acid
CID 137347871
(2R,4S)-4-benzamidooxypyrrolidine-2-carboxylic acid
CID 87217555
(2S,4S)-4-(2-fluorophenoxy)pyrrolidine-2-carboxylic acid
CID 54194980
(2S,4R)-4-octadecanoyloxypyrrolidine-2-carboxylic acid
CID 102380312
4-(2-methylprop-2-enoyloxy)pyrrolidine-2-carboxylic acid
CID 76658036

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid (CID 168737415) is (2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](OCC(F)F)CN1.
What is the InChIKey of (2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid?
The InChIKey is YDFBQMPWUIQSBZ-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H11F2NO3/c8-6(9)3-13-4-1-5(7(11)12)10-2-4/h4-6,10H,1-3H2,(H,11,12)/t4-,5+/m1/s1.
What are the key properties of (2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid?
(2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid has a molecular weight of 195.16 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(2,2-difluoroethoxy)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 168737415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).