(2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide

C10H16F2N2O — CID 126643190

IUPAC(2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide
SMILESCC(C)=C(F)CNC(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C10H16F2N2O/c1-6(2)8(12)5-14-10(15)9-3-7(11)4-13-9/h7,9,13H,3-5H2,1-2H3,(H,14,15)/t7-,9+/m1/s1
InChIKeyFWJUNTKDUKKBBD-APPZFPTMSA-N
MW218.25 g/mol
LogP1.07
Rot. Bonds3

About (2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide (PubChem CID 126643190) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide
PubChem CID126643190
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name(2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide
SMILESCC(C)=C(F)CNC(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C10H16F2N2O/c1-6(2)8(12)5-14-10(15)9-3-7(11)4-13-9/h7,9,13H,3-5H2,1-2H3,(H,14,15)/t7-,9+/m1/s1
InChIKeyFWJUNTKDUKKBBD-APPZFPTMSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-1-((S)-2-aminobutanoyl)-N-butyl-4-fluoropyrrolidine-2-carboxamide
CID 11651969
N-propylpyrrolidine-2-carboxamide
CID 4984185
Acetylprolyl-alpha,beta-dehydrovaline methylamide
CID 195703
(S)-N-Isopropylpyrrolidine-2-carboxamide
CID 10898944
(S)-N-Isobutylpyrrolidine-2-carboxamide
CID 13945016
(2S,4S)-N-butyl-4-fluoropyrrolidine-2-carboxamide
CID 11636957
N-(3,4,4-trifluorobut-3-enyl)pyrrolidine-2-carboxamide
CID 19380000
1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 21365735
N-ethyl-4-fluoropyrrolidine-2-carboxamide
CID 23120691
N-ethyl-4-fluoro-L-prolinamide
CID 45115932
(2S)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 53694262
(2S)-N-(2-fluoroethyl)-1-methylpyrrolidine-2-carboxamide
CID 54211388

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide (CID 126643190) is (2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide is CC(C)=C(F)CNC(=O)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide?
The InChIKey is FWJUNTKDUKKBBD-APPZFPTMSA-N. The full InChI is InChI=1S/C10H16F2N2O/c1-6(2)8(12)5-14-10(15)9-3-7(11)4-13-9/h7,9,13H,3-5H2,1-2H3,(H,14,15)/t7-,9+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide has a molecular weight of 218.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-N-(2-fluoro-3-methylbut-2-enyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 126643190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).