(5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one

C10H15F2NO — CID 146633902

IUPAC(5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C2CCC(F)(F)CC2)N1
InChIInChI=1S/C10H15F2NO/c11-10(12)5-3-7(4-6-10)8-1-2-9(14)13-8/h7-8H,1-6H2,(H,13,14)/t8-/m0/s1
InChIKeyMGKZWQKQTBVSCU-QMMMGPOBSA-N
MW203.23 g/mol
LogP2.09
Rot. Bonds1

About (5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one

(5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one (PubChem CID 146633902) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is (5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one
PubChem CID146633902
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name(5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](C2CCC(F)(F)CC2)N1
InChIInChI=1S/C10H15F2NO/c11-10(12)5-3-7(4-6-10)8-1-2-9(14)13-8/h7-8H,1-6H2,(H,13,14)/t8-/m0/s1
InChIKeyMGKZWQKQTBVSCU-QMMMGPOBSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one (CID 146633902) is (5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one is O=C1CC[C@@H](C2CCC(F)(F)CC2)N1.
What is the InChIKey of (5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one?
The InChIKey is MGKZWQKQTBVSCU-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15F2NO/c11-10(12)5-3-7(4-6-10)8-1-2-9(14)13-8/h7-8H,1-6H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one?
(5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one has a molecular weight of 203.23 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4,4-difluorocyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 146633902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).