1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one

C14H16ClFO2 — CID 113391239

IUPAC1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1Cl)CC1CCCCO1
InChIInChI=1S/C14H16ClFO2/c15-14-8-11(16)5-4-10(14)7-12(17)9-13-3-1-2-6-18-13/h4-5,8,13H,1-3,6-7,9H2
InChIKeyOUGMNLMHGAUCQS-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.55
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one

1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one (PubChem CID 113391239) has the molecular formula C14H16ClFO2 and a molecular weight of 270.73 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
PubChem CID113391239
Molecular FormulaC14H16ClFO2
Molecular Weight270.73 g/mol
Exact Mass270.08
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
SMILESO=C(Cc1ccc(F)cc1Cl)CC1CCCCO1
InChIInChI=1S/C14H16ClFO2/c15-14-8-11(16)5-4-10(14)7-12(17)9-13-3-1-2-6-18-13/h4-5,8,13H,1-3,6-7,9H2
InChIKeyOUGMNLMHGAUCQS-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 103039496
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
1-(2-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 65139931
1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 62607059
[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267279
2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane
CID 112815253
1-(2,4-dichlorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-one
CID 103543640
1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one
CID 106677431
1-(2-aminocyclohexyl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116579921
1-(2-chloro-4-fluorophenyl)-3-(2-chlorophenyl)propan-2-one
CID 55096413
1-(3-bromo-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-one
CID 54971563
1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one
CID 174883544

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one (CID 113391239) is 1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one is O=C(Cc1ccc(F)cc1Cl)CC1CCCCO1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one?
The InChIKey is OUGMNLMHGAUCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO2/c15-14-8-11(16)5-4-10(14)7-12(17)9-13-3-1-2-6-18-13/h4-5,8,13H,1-3,6-7,9H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one?
1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one has a molecular weight of 270.73 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one is sourced from PubChem (CID 113391239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).