(5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one

C11H11F2NO — CID 125493632

IUPAC(5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC[C@H](CF)N1c1cccc(F)c1
InChIInChI=1S/C11H11F2NO/c12-7-10-4-5-11(15)14(10)9-3-1-2-8(13)6-9/h1-3,6,10H,4-5,7H2/t10-/m1/s1
InChIKeyZJSKRNTTXBNBKG-SNVBAGLBSA-N
MW211.21 g/mol
LogP2.29
Rot. Bonds2

About (5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one

(5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one (PubChem CID 125493632) has the molecular formula C11H11F2NO and a molecular weight of 211.21 g/mol. Its IUPAC name is (5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one
PubChem CID125493632
Molecular FormulaC11H11F2NO
Molecular Weight211.21 g/mol
Exact Mass211.08
IUPAC Name(5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC[C@H](CF)N1c1cccc(F)c1
InChIInChI=1S/C11H11F2NO/c12-7-10-4-5-11(15)14(10)9-3-1-2-8(13)6-9/h1-3,6,10H,4-5,7H2/t10-/m1/s1
InChIKeyZJSKRNTTXBNBKG-SNVBAGLBSA-N
XLogP2.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(aminomethyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 82506704
5-ethyl-1-phenylpyrrolidin-2-one
CID 14142559
[4-[2-(fluoromethyl)-5-oxopyrrolidin-1-yl]phenyl] acetate
CID 71623105
1-(3-fluorophenyl)piperidine-2,6-dione
CID 82077412
1-(3,4-difluorophenyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 90898772
1-(3-fluorophenyl)piperidine-2,4-dione
CID 79515239
(5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
CID 129379960
3-cyclopropyl-1-(3-fluorophenyl)-6-methylpiperazine-2,5-dione
CID 64955305
4-(aminomethyl)-3-(3-fluorophenyl)-3-azabicyclo[3.1.1]heptan-2-one
CID 105494346
1-(3-fluorophenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64955932
1-(3-fluorophenyl)-4-methyl-1,5-diazocan-2-one
CID 117015126
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one (CID 125493632) is (5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one is O=C1CC[C@H](CF)N1c1cccc(F)c1.
What is the InChIKey of (5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is ZJSKRNTTXBNBKG-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11F2NO/c12-7-10-4-5-11(15)14(10)9-3-1-2-8(13)6-9/h1-3,6,10H,4-5,7H2/t10-/m1/s1.
What are the key properties of (5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one?
(5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 211.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(fluoromethyl)-1-(3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 125493632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).