(2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide

C9H16F2N2O — CID 54422523

IUPAC(2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)NC(CF)CF
InChIInChI=1S/C9H16F2N2O/c1-13-4-2-3-8(13)9(14)12-7(5-10)6-11/h7-8H,2-6H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyWBUPYBGWTSNVLO-QMMMGPOBSA-N
MW206.24 g/mol
LogP0.50
Rot. Bonds4

About (2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide

(2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide (PubChem CID 54422523) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is (2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide
PubChem CID54422523
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name(2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide
SMILESCN1CCC[C@H]1C(=O)NC(CF)CF
InChIInChI=1S/C9H16F2N2O/c1-13-4-2-3-8(13)9(14)12-7(5-10)6-11/h7-8H,2-6H2,1H3,(H,12,14)/t8-/m0/s1
InChIKeyWBUPYBGWTSNVLO-QMMMGPOBSA-N
XLogP0.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide (CID 54422523) is (2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide is CN1CCC[C@H]1C(=O)NC(CF)CF.
What is the InChIKey of (2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide?
The InChIKey is WBUPYBGWTSNVLO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-13-4-2-3-8(13)9(14)12-7(5-10)6-11/h7-8H,2-6H2,1H3,(H,12,14)/t8-/m0/s1.
What are the key properties of (2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide?
(2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 206.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-difluoropropan-2-yl)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54422523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).