2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone

C14H16ClFO2 — CID 112653397

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
SMILESCC1(C(=O)Cc2cccc(F)c2Cl)CCCCO1
InChIInChI=1S/C14H16ClFO2/c1-14(7-2-3-8-18-14)12(17)9-10-5-4-6-11(16)13(10)15/h4-6H,2-3,7-9H2,1H3
InChIKeyOCMSVZKVIUZYKM-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.55
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone

2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone (PubChem CID 112653397) has the molecular formula C14H16ClFO2 and a molecular weight of 270.73 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
PubChem CID112653397
Molecular FormulaC14H16ClFO2
Molecular Weight270.73 g/mol
Exact Mass270.08
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
SMILESCC1(C(=O)Cc2cccc(F)c2Cl)CCCCO1
InChIInChI=1S/C14H16ClFO2/c1-14(7-2-3-8-18-14)12(17)9-10-5-4-6-11(16)13(10)15/h4-6H,2-3,7-9H2,1H3
InChIKeyOCMSVZKVIUZYKM-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-3-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 115983535
1-(2-methyloxan-2-yl)-2-naphthalen-1-ylethanone
CID 80685118
(2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone
CID 80684654
(2-fluorophenyl)-(2-methyloxan-2-yl)methanone
CID 80691647
2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 115983494
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(2-methyloxolan-2-yl)ethanamine
CID 112653884
2-(2-chloro-3-fluorophenyl)-1-(2,2-dimethylcyclopentyl)ethanone
CID 107187410
2-(3-fluoro-4-methoxyphenyl)-1-(2-methyloxan-2-yl)ethanone
CID 80685144
1-(1-adamantyl)-2-(2-chloro-3-fluorophenyl)ethanone
CID 115983489
2-(2-chloro-3-fluorophenyl)-1-cyclooctylethanone
CID 112653394
2-(3-bromo-5-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone
CID 80685776
2-(2,3-dichlorophenyl)-1-(1-methoxycyclohexyl)ethanone
CID 107308035

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone (CID 112653397) is 2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone is CC1(C(=O)Cc2cccc(F)c2Cl)CCCCO1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone?
The InChIKey is OCMSVZKVIUZYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO2/c1-14(7-2-3-8-18-14)12(17)9-10-5-4-6-11(16)13(10)15/h4-6H,2-3,7-9H2,1H3.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone?
2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone has a molecular weight of 270.73 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(2-methyloxan-2-yl)ethanone is sourced from PubChem (CID 112653397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).