3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane

C7H13F2NO2 — CID 143764227

IUPAC3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane
SMILESCC.O=C1NC(CO)CC1(F)F
InChIInChI=1S/C5H7F2NO2.C2H6/c6-5(7)1-3(2-9)8-4(5)10;1-2/h3,9H,1-2H2,(H,8,10);1-2H3
InChIKeyLVMFFSSPCAYRAR-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.53
Rot. Bonds1

About 3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane

3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane (PubChem CID 143764227) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane.

Molecular Properties

Compound Name3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane
PubChem CID143764227
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane
SMILESCC.O=C1NC(CO)CC1(F)F
InChIInChI=1S/C5H7F2NO2.C2H6/c6-5(7)1-3(2-9)8-4(5)10;1-2/h3,9H,1-2H2,(H,8,10);1-2H3
InChIKeyLVMFFSSPCAYRAR-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

(S)-5-(Hydroxymethyl)-2-pyrrolidinone
CID 643511
5-(Hydroxymethyl)pyrrolidin-2-one
CID 558359
(R)-(-)-5-(Hydroxymethyl)-2-pyrrolidinone
CID 7128291
(3S,4S,5S)-4-ethyl-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 118414580
(S)-3,3-Difluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 11768754
(3R,5R)-5-(hydroxymethyl)-3-methylpyrrolidin-2-one
CID 15663716
(3R,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 10942467
(3S,5S)-3-fluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 124674274
(4R,5S)-5-ethyl-3,3-difluoro-4-hydroxypyrrolidin-2-one
CID 57577519
3,3-Difluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 66621935
5-(Hydroxymethyl)-4-(trifluoromethyl)pyrrolidin-2-one
CID 84072797
3-Fluoro-5-(hydroxymethyl)pyrrolidin-2-one
CID 85325047

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane?
The IUPAC name of 3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane (CID 143764227) is 3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane.
What is the SMILES notation for 3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane?
The canonical SMILES for 3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane is CC.O=C1NC(CO)CC1(F)F.
What is the InChIKey of 3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane?
The InChIKey is LVMFFSSPCAYRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2.C2H6/c6-5(7)1-3(2-9)8-4(5)10;1-2/h3,9H,1-2H2,(H,8,10);1-2H3.
What are the key properties of 3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane?
3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane has a molecular weight of 181.18 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-(hydroxymethyl)pyrrolidin-2-one;ethane is sourced from PubChem (CID 143764227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).