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

C14H16ClFO2 — CID 103039496

IUPAC1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
SMILESO=C(Cc1ccc(F)c(Cl)c1)CC1CCCCO1
InChIInChI=1S/C14H16ClFO2/c15-13-8-10(4-5-14(13)16)7-11(17)9-12-3-1-2-6-18-12/h4-5,8,12H,1-3,6-7,9H2
InChIKeyXHCHZMXELDRILO-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.55
Rot. Bonds4

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

1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one (PubChem CID 103039496) has the molecular formula C14H16ClFO2 and a molecular weight of 270.73 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
PubChem CID103039496
Molecular FormulaC14H16ClFO2
Molecular Weight270.73 g/mol
Exact Mass270.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
SMILESO=C(Cc1ccc(F)c(Cl)c1)CC1CCCCO1
InChIInChI=1S/C14H16ClFO2/c15-13-8-10(4-5-14(13)16)7-11(17)9-12-3-1-2-6-18-12/h4-5,8,12H,1-3,6-7,9H2
InChIKeyXHCHZMXELDRILO-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-bromo-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-one
CID 54971563
1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 113391239
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-one
CID 103039381
1-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanylpropan-2-one
CID 103039382
2-(3-chloro-4-fluorophenyl)-1-cyclohexylethanone
CID 103039315
2-(4-chloro-3-fluorophenyl)-1-(oxan-2-yl)ethanone
CID 107890629
1-(oxolan-2-yl)-3-pyridin-4-ylpropan-2-one
CID 62622674
1-bromo-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 131189515
1-(1-aminocyclobutyl)-3-(3-chloro-4-fluorophenyl)propan-2-one
CID 103042612
1-(3,4-dichlorophenyl)-5-(oxolan-2-yl)pentan-2-one
CID 65167105
1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)-N-propylpropan-2-amine
CID 103040443
3-[3-(3-chloro-4-fluorophenyl)-2-oxopropyl]-N-ethyl-4-(oxan-2-yl)benzenesulfonamide
CID 160887222

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one (CID 103039496) is 1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one is O=C(Cc1ccc(F)c(Cl)c1)CC1CCCCO1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one?
The InChIKey is XHCHZMXELDRILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO2/c15-13-8-10(4-5-14(13)16)7-11(17)9-12-3-1-2-6-18-12/h4-5,8,12H,1-3,6-7,9H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one?
1-(3-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-(3-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one is sourced from PubChem (CID 103039496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).