(5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one

C10H15F2NO — CID 90988914

IUPAC(5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one
SMILESO=C1CN[C@@H](C2CCC(F)C(F)C2)C1
InChIInChI=1S/C10H15F2NO/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10/h6,8-10,13H,1-5H2/t6?,8?,9?,10-/m1/s1
InChIKeyACFRCHNITOVBJE-NEEVAGLGSA-N
MW203.23 g/mol
LogP1.39
Rot. Bonds1

About (5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one

(5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one (PubChem CID 90988914) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is (5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one.

Molecular Properties

Compound Name(5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one
PubChem CID90988914
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name(5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one
SMILESO=C1CN[C@@H](C2CCC(F)C(F)C2)C1
InChIInChI=1S/C10H15F2NO/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10/h6,8-10,13H,1-5H2/t6?,8?,9?,10-/m1/s1
InChIKeyACFRCHNITOVBJE-NEEVAGLGSA-N
XLogP1.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pyrrolidin-2-yl)cyclohexan-1-one hydrochloride
CID 71755692
6-(Trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 145864828
(+/-)-(1S,5S,6R)-6-(trifluoromethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 145996570
1-Azaspiro[4.5]decan-3-one
CID 67157664
(1S)-1-(4,4-difluorocyclohexyl)-1-(methylamino)propan-2-one
CID 59115403
6-(2,2,2-Trifluoroethyl)-8-azabicyclo[3.2.1]octan-3-one
CID 91008321
(5S)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one
CID 91441810
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-propylhexan-1-one
CID 129213517
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]-2-propylhexan-1-one
CID 129213605
1-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylbutan-1-one
CID 130410152
2-ethyl-1-[(2S,4R)-4-fluoropyrrolidin-2-yl]heptan-1-one
CID 130436504
1-[(2S)-4-fluoro-4-propylpyrrolidin-2-yl]ethanone
CID 142989381

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one?
The IUPAC name of (5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one (CID 90988914) is (5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one.
What is the SMILES notation for (5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one?
The canonical SMILES for (5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one is O=C1CN[C@@H](C2CCC(F)C(F)C2)C1.
What is the InChIKey of (5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one?
The InChIKey is ACFRCHNITOVBJE-NEEVAGLGSA-N. The full InChI is InChI=1S/C10H15F2NO/c11-8-2-1-6(3-9(8)12)10-4-7(14)5-13-10/h6,8-10,13H,1-5H2/t6?,8?,9?,10-/m1/s1.
What are the key properties of (5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one?
(5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one has a molecular weight of 203.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,4-difluorocyclohexyl)pyrrolidin-3-one is sourced from PubChem (CID 90988914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).