(4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one

C6H7F2NO — CID 58019144

IUPAC(4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESO=C1C[C@H](C=C(F)F)CN1
InChIInChI=1S/C6H7F2NO/c7-5(8)1-4-2-6(10)9-3-4/h1,4H,2-3H2,(H,9,10)/t4-/m0/s1
InChIKeyKQXJEHBTFCCXGK-BYPYZUCNSA-N
MW147.12 g/mol
LogP0.90
Rot. Bonds1

About (4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one

(4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one (PubChem CID 58019144) has the molecular formula C6H7F2NO and a molecular weight of 147.12 g/mol. Its IUPAC name is (4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one
PubChem CID58019144
Molecular FormulaC6H7F2NO
Molecular Weight147.12 g/mol
Exact Mass147.05
IUPAC Name(4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one
SMILESO=C1C[C@H](C=C(F)F)CN1
InChIInChI=1S/C6H7F2NO/c7-5(8)1-4-2-6(10)9-3-4/h1,4H,2-3H2,(H,9,10)/t4-/m0/s1
InChIKeyKQXJEHBTFCCXGK-BYPYZUCNSA-N
XLogP0.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.12
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one (CID 58019144) is (4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one is O=C1C[C@H](C=C(F)F)CN1.
What is the InChIKey of (4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
The InChIKey is KQXJEHBTFCCXGK-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H7F2NO/c7-5(8)1-4-2-6(10)9-3-4/h1,4H,2-3H2,(H,9,10)/t4-/m0/s1.
What are the key properties of (4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one?
(4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one has a molecular weight of 147.12 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,2-difluoroethenyl)pyrrolidin-2-one is sourced from PubChem (CID 58019144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).