2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone

C14H23F2NO — CID 129022785

IUPAC2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CC2CCC(F)(F)CC2)[C@@H]1C
InChIInChI=1S/C14H23F2NO/c1-10-5-8-17(11(10)2)13(18)9-12-3-6-14(15,16)7-4-12/h10-12H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyVTXMUGSZJQLVSB-RRKGBCIJSA-N
MW259.34 g/mol
LogP3.46
Rot. Bonds2

About 2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone

2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone (PubChem CID 129022785) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone
PubChem CID129022785
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone
SMILESCC1CCN(C(=O)CC2CCC(F)(F)CC2)[C@@H]1C
InChIInChI=1S/C14H23F2NO/c1-10-5-8-17(11(10)2)13(18)9-12-3-6-14(15,16)7-4-12/h10-12H,3-9H2,1-2H3/t10?,11-/m1/s1
InChIKeyVTXMUGSZJQLVSB-RRKGBCIJSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone (CID 129022785) is 2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone is CC1CCN(C(=O)CC2CCC(F)(F)CC2)[C@@H]1C.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone?
The InChIKey is VTXMUGSZJQLVSB-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-10-5-8-17(11(10)2)13(18)9-12-3-6-14(15,16)7-4-12/h10-12H,3-9H2,1-2H3/t10?,11-/m1/s1.
What are the key properties of 2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone?
2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone has a molecular weight of 259.34 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-1-[(2R)-2,3-dimethylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129022785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).