2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone

C15H25F2NO — CID 114224613

IUPAC2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
SMILESCN(C)C1(C(=O)CC2CCC(F)(F)C2)CCCCC1
InChIInChI=1S/C15H25F2NO/c1-18(2)14(7-4-3-5-8-14)13(19)10-12-6-9-15(16,17)11-12/h12H,3-11H2,1-2H3
InChIKeyGXCBBCAFGOXIHR-UHFFFAOYSA-N
MW273.37 g/mol
LogP3.65
Rot. Bonds4

About 2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone

2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone (PubChem CID 114224613) has the molecular formula C15H25F2NO and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
PubChem CID114224613
Molecular FormulaC15H25F2NO
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
SMILESCN(C)C1(C(=O)CC2CCC(F)(F)C2)CCCCC1
InChIInChI=1S/C15H25F2NO/c1-18(2)14(7-4-3-5-8-14)13(19)10-12-6-9-15(16,17)11-12/h12H,3-11H2,1-2H3
InChIKeyGXCBBCAFGOXIHR-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone (CID 114224613) is 2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone is CN(C)C1(C(=O)CC2CCC(F)(F)C2)CCCCC1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone?
The InChIKey is GXCBBCAFGOXIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2NO/c1-18(2)14(7-4-3-5-8-14)13(19)10-12-6-9-15(16,17)11-12/h12H,3-11H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone?
2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone has a molecular weight of 273.37 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-[1-(dimethylamino)cyclohexyl]ethanone is sourced from PubChem (CID 114224613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).