(2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide

C11H18F2N2O — CID 126622920

IUPAC(2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)=C(F)[C@@H](C)NC(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C11H18F2N2O/c1-6(2)10(13)7(3)15-11(16)9-4-8(12)5-14-9/h7-9,14H,4-5H2,1-3H3,(H,15,16)/t7-,8-,9+/m1/s1
InChIKeyVDKHMQWDBVLWTJ-HLTSFMKQSA-N
MW232.27 g/mol
LogP1.45
Rot. Bonds3

About (2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide (PubChem CID 126622920) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide
PubChem CID126622920
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name(2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)=C(F)[C@@H](C)NC(=O)[C@@H]1C[C@@H](F)CN1
InChIInChI=1S/C11H18F2N2O/c1-6(2)10(13)7(3)15-11(16)9-4-8(12)5-14-9/h7-9,14H,4-5H2,1-3H3,(H,15,16)/t7-,8-,9+/m1/s1
InChIKeyVDKHMQWDBVLWTJ-HLTSFMKQSA-N
XLogP1.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide (CID 126622920) is (2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide is CC(C)=C(F)[C@@H](C)NC(=O)[C@@H]1C[C@@H](F)CN1.
What is the InChIKey of (2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is VDKHMQWDBVLWTJ-HLTSFMKQSA-N. The full InChI is InChI=1S/C11H18F2N2O/c1-6(2)10(13)7(3)15-11(16)9-4-8(12)5-14-9/h7-9,14H,4-5H2,1-3H3,(H,15,16)/t7-,8-,9+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-N-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 232.27 g/mol, XLogP of 1.45, 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-[(2R)-3-fluoro-4-methylpent-3-en-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 126622920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).