5-(2,2-difluoroethyl)pyrrolidin-2-one

C6H9F2NO — CID 67255419

IUPAC5-(2,2-difluoroethyl)pyrrolidin-2-one
SMILESO=C1CCC(CC(F)F)N1
InChIInChI=1S/C6H9F2NO/c7-5(8)3-4-1-2-6(10)9-4/h4-5H,1-3H2,(H,9,10)
InChIKeyKKDOMMWANVLUHA-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.92
Rot. Bonds2

About 5-(2,2-difluoroethyl)pyrrolidin-2-one

5-(2,2-difluoroethyl)pyrrolidin-2-one (PubChem CID 67255419) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 5-(2,2-difluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2,2-difluoroethyl)pyrrolidin-2-one
PubChem CID67255419
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name5-(2,2-difluoroethyl)pyrrolidin-2-one
SMILESO=C1CCC(CC(F)F)N1
InChIInChI=1S/C6H9F2NO/c7-5(8)3-4-1-2-6(10)9-4/h4-5H,1-3H2,(H,9,10)
InChIKeyKKDOMMWANVLUHA-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,3-dimethylbutyl)pyrrolidin-2-one
CID 130635210
(5R)-5-(sulfanylmethyl)pyrrolidin-2-one
CID 59949416
(5S)-5-(aminomethyl)pyrrolidin-2-one;hydrochloride
CID 86767658
(5-oxopyrrolidin-2-yl)methyl formate
CID 21221170
4-[(2R)-5-oxopyrrolidin-2-yl]butanal
CID 11423711
5-(2-aminoethyl)pyrrolidin-2-one;dihydrochloride
CID 171329412
2-(5-oxopyrrolidin-2-yl)ethyl formate
CID 174662613
(5S)-5-[(2-methylpropylamino)methyl]pyrrolidin-2-one
CID 139457807
5-(5,5,5-trifluoro-3-hydroxypentyl)pyrrolidin-2-one
CID 174467636
5-[[[4-(difluoromethyl)phenyl]methylamino]methyl]pyrrolidin-2-one
CID 115524016
5-(3,3-dimethylbutyl)pyrrolidin-2-one
CID 163551837
5-but-3-ynylpyrrolidin-2-one
CID 15531515

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethyl)pyrrolidin-2-one?
The IUPAC name of 5-(2,2-difluoroethyl)pyrrolidin-2-one (CID 67255419) is 5-(2,2-difluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2,2-difluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(2,2-difluoroethyl)pyrrolidin-2-one is O=C1CCC(CC(F)F)N1.
What is the InChIKey of 5-(2,2-difluoroethyl)pyrrolidin-2-one?
The InChIKey is KKDOMMWANVLUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-5(8)3-4-1-2-6(10)9-4/h4-5H,1-3H2,(H,9,10).
What are the key properties of 5-(2,2-difluoroethyl)pyrrolidin-2-one?
5-(2,2-difluoroethyl)pyrrolidin-2-one has a molecular weight of 149.14 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 67255419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).