(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one

C11H9ClF3NO — CID 124634597

IUPAC(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1C[C@H](c2ccc(Cl)c(C(F)(F)F)c2)CN1
InChIInChI=1S/C11H9ClF3NO/c12-9-2-1-6(3-8(9)11(13,14)15)7-4-10(17)16-5-7/h1-3,7H,4-5H2,(H,16,17)/t7-/m0/s1
InChIKeyCERRGOWAUOJZNE-ZETCQYMHSA-N
MW263.65 g/mol
LogP2.96
Rot. Bonds1

About (4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one

(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 124634597) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is (4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID124634597
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC Name(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESO=C1C[C@H](c2ccc(Cl)c(C(F)(F)F)c2)CN1
InChIInChI=1S/C11H9ClF3NO/c12-9-2-1-6(3-8(9)11(13,14)15)7-4-10(17)16-5-7/h1-3,7H,4-5H2,(H,16,17)/t7-/m0/s1
InChIKeyCERRGOWAUOJZNE-ZETCQYMHSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-[4-(chloromethyl)-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 124634477
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608
N-[2-chloro-5-(5-oxopyrrolidin-3-yl)phenyl]-2,2,2-trifluoroacetamide
CID 91458106
(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71742226
(4S)-4-[4-chloro-3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 171252733
4-[2-chloro-5-[(3R)-5-oxopyrrolidin-3-yl]phenyl]benzoic acid
CID 66725141
(4S)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634583
(4R)-4-[4-amino-3-(trifluoromethyl)phenyl]piperidin-2-one
CID 124634582
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
CID 53417800
4-[4-amino-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 53417785
(4R)-4-(4-chlorophenyl)pyrrolidin-2-one;formic acid
CID 142352390

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 124634597) is (4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one is O=C1C[C@H](c2ccc(Cl)c(C(F)(F)F)c2)CN1.
What is the InChIKey of (4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is CERRGOWAUOJZNE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H9ClF3NO/c12-9-2-1-6(3-8(9)11(13,14)15)7-4-10(17)16-5-7/h1-3,7H,4-5H2,(H,16,17)/t7-/m0/s1.
What are the key properties of (4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 263.65 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 124634597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).