(4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one

C7H10F3NO — CID 67116639

IUPAC(4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one
SMILESO=C1C[C@H](CCC(F)(F)F)CN1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)2-1-5-3-6(12)11-4-5/h5H,1-4H2,(H,11,12)/t5-/m0/s1
InChIKeyUWEUPMBQJMCUOW-YFKPBYRVSA-N
MW181.16 g/mol
LogP1.47
Rot. Bonds2

About (4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one

(4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one (PubChem CID 67116639) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is (4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one
PubChem CID67116639
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name(4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one
SMILESO=C1C[C@H](CCC(F)(F)F)CN1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)2-1-5-3-6(12)11-4-5/h5H,1-4H2,(H,11,12)/t5-/m0/s1
InChIKeyUWEUPMBQJMCUOW-YFKPBYRVSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Propan-2-yl)pyrrolidin-2-one
CID 20976007
(5S)-5-(propan-2-yl)pyrrolidin-2-one
CID 13082303
4-(2-Methylpropyl)pyrrolidin-2-one
CID 16101323
Pregabalin lactam
CID 16101324
5-(Propan-2-yl)pyrrolidin-2-one
CID 13082302
3-Cyclopropylpyrrolidin-2-one
CID 18442678
5-Ethyl-3-methylpyrrolidin-2-one
CID 20363361
(5R)-5-(propan-2-yl)pyrrolidin-2-one
CID 60054977
2-Pyrrolidinone, 4-(2-chloro-2,2-difluoroethyl)-, (4R)-
CID 68353997
2,2-Difluoro-6-azaspiro[3.4]octan-5-one
CID 155351519
(4R)-4-(2-Methylpropyl)pyrrolidin-2-one
CID 15432496
3-(Cyclopropylmethyl)pyrrolidin-2-one
CID 53417265

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one (CID 67116639) is (4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one is O=C1C[C@H](CCC(F)(F)F)CN1.
What is the InChIKey of (4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one?
The InChIKey is UWEUPMBQJMCUOW-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)2-1-5-3-6(12)11-4-5/h5H,1-4H2,(H,11,12)/t5-/m0/s1.
What are the key properties of (4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one?
(4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one has a molecular weight of 181.16 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one is sourced from PubChem (CID 67116639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).