2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone

C13H14ClFO2 — CID 63013840

IUPAC2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)C1CCCOC1
InChIInChI=1S/C13H14ClFO2/c14-11-4-1-5-12(15)10(11)7-13(16)9-3-2-6-17-8-9/h1,4-5,9H,2-3,6-8H2
InChIKeyNZBWCGXHDLGDSR-UHFFFAOYSA-N
MW256.70 g/mol
LogP3.02
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone

2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone (PubChem CID 63013840) has the molecular formula C13H14ClFO2 and a molecular weight of 256.70 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
PubChem CID63013840
Molecular FormulaC13H14ClFO2
Molecular Weight256.70 g/mol
Exact Mass256.07
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone
SMILESO=C(Cc1c(F)cccc1Cl)C1CCCOC1
InChIInChI=1S/C13H14ClFO2/c14-11-4-1-5-12(15)10(11)7-13(16)9-3-2-6-17-8-9/h1,4-5,9H,2-3,6-8H2
InChIKeyNZBWCGXHDLGDSR-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.70
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 63563601
2-(2-chloro-6-fluorophenyl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921775
2-(2-chloro-6-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 55047758
2-(3-fluorophenyl)-1-(oxan-3-yl)ethanone
CID 63014359
2-(2,3-dichlorophenyl)-1-(oxolan-3-yl)ethanone
CID 107307902
(2,6-dichlorophenyl)-(oxan-3-yl)methanone
CID 107138536
2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-[(3S,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129349691
2-(2-chloro-6-fluorophenyl)-1-[2-(4-hydroxyoxan-3-yl)pyrrolidin-1-yl]ethanone
CID 128965093
2-(2-bromophenyl)-1-(oxan-3-yl)ethanone
CID 65332498
2-(2-chloro-6-fluorophenyl)-N-cyclohexylacetamide
CID 974091
2-(2-chloro-6-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572464
2-(2-chloro-6-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 78785496

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone (CID 63013840) is 2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone is O=C(Cc1c(F)cccc1Cl)C1CCCOC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone?
The InChIKey is NZBWCGXHDLGDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO2/c14-11-4-1-5-12(15)10(11)7-13(16)9-3-2-6-17-8-9/h1,4-5,9H,2-3,6-8H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone?
2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone has a molecular weight of 256.70 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(oxan-3-yl)ethanone is sourced from PubChem (CID 63013840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).