2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone

C13H14F3NO — CID 114224626

IUPAC2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone
SMILESO=C(CC1CCCC(F)(F)C1)c1ncccc1F
InChIInChI=1S/C13H14F3NO/c14-10-4-2-6-17-12(10)11(18)7-9-3-1-5-13(15,16)8-9/h2,4,6,9H,1,3,5,7-8H2
InChIKeyDLAARERXINQQEX-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.62
Rot. Bonds3

About 2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone

2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone (PubChem CID 114224626) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone
PubChem CID114224626
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone
SMILESO=C(CC1CCCC(F)(F)C1)c1ncccc1F
InChIInChI=1S/C13H14F3NO/c14-10-4-2-6-17-12(10)11(18)7-9-3-1-5-13(15,16)8-9/h2,4,6,9H,1,3,5,7-8H2
InChIKeyDLAARERXINQQEX-UHFFFAOYSA-N
XLogP3.62
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-3-fluorophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114225591
1-(4-amino-3-fluorophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114225535
1-(3-bromophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114224567
2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone
CID 82729797
1-(3-amino-2-pyridinyl)-2-cyclobutylethanone
CID 116613726
1-(2-amino-5-bromophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114224634
1-(2,5-dibromothiophen-3-yl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114225680
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
2-(3,3-difluorocyclohexyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanone
CID 114255314
2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone
CID 130487423
1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
CID 171992794
4-[(3,3-difluorocyclohexyl)methoxy]-2-fluorobenzoic acid
CID 150977952

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone (CID 114224626) is 2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone is O=C(CC1CCCC(F)(F)C1)c1ncccc1F.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone?
The InChIKey is DLAARERXINQQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-10-4-2-6-17-12(10)11(18)7-9-3-1-5-13(15,16)8-9/h2,4,6,9H,1,3,5,7-8H2.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone?
2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone has a molecular weight of 257.25 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(3-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 114224626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).