(4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane

C7H13F2NO2 — CID 159301112

IUPAC(4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane
SMILESCCC.O=C1NC[C@@H](O)C1(F)F
InChIInChI=1S/C4H5F2NO2.C3H8/c5-4(6)2(8)1-7-3(4)9;1-3-2/h2,8H,1H2,(H,7,9);3H2,1-2H3/t2-;/m1./s1
InChIKeyLBIREZCVTJADNK-HSHFZTNMSA-N
MW181.18 g/mol
LogP0.53
Rot. Bonds

About (4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane

(4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane (PubChem CID 159301112) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is (4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane.

Molecular Properties

Compound Name(4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane
PubChem CID159301112
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name(4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane
SMILESCCC.O=C1NC[C@@H](O)C1(F)F
InChIInChI=1S/C4H5F2NO2.C3H8/c5-4(6)2(8)1-7-3(4)9;1-3-2/h2,8H,1H2,(H,7,9);3H2,1-2H3/t2-;/m1./s1
InChIKeyLBIREZCVTJADNK-HSHFZTNMSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane?
The IUPAC name of (4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane (CID 159301112) is (4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane.
What is the SMILES notation for (4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane?
The canonical SMILES for (4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane is CCC.O=C1NC[C@@H](O)C1(F)F.
What is the InChIKey of (4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane?
The InChIKey is LBIREZCVTJADNK-HSHFZTNMSA-N. The full InChI is InChI=1S/C4H5F2NO2.C3H8/c5-4(6)2(8)1-7-3(4)9;1-3-2/h2,8H,1H2,(H,7,9);3H2,1-2H3/t2-;/m1./s1.
What are the key properties of (4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane?
(4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane has a molecular weight of 181.18 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3-difluoro-4-hydroxypyrrolidin-2-one;propane is sourced from PubChem (CID 159301112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).