1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one

C12H14ClFO2 — CID 83899914

IUPAC1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one
SMILESCC(=O)Cc1cc(F)c(Cl)cc1OC(C)C
InChIInChI=1S/C12H14ClFO2/c1-7(2)16-12-6-10(13)11(14)5-9(12)4-8(3)15/h5-7H,4H2,1-3H3
InChIKeyYPIZPYRJCHKOAS-UHFFFAOYSA-N
MW244.69 g/mol
LogP3.40
Rot. Bonds4

About 1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one

1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one (PubChem CID 83899914) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is 1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one
PubChem CID83899914
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Name1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one
SMILESCC(=O)Cc1cc(F)c(Cl)cc1OC(C)C
InChIInChI=1S/C12H14ClFO2/c1-7(2)16-12-6-10(13)11(14)5-9(12)4-8(3)15/h5-7H,4H2,1-3H3
InChIKeyYPIZPYRJCHKOAS-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-one
CID 117395306
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid
CID 118331973
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179
1-(4-chloro-5-fluoro-2-nitrophenyl)propan-2-one
CID 66077079
(4-chloro-2-fluoro-5-propan-2-yloxyphenyl)methanol
CID 21200446
methyl 2-[2-chloro-4,5-di(propan-2-yloxy)phenyl]acetate
CID 82551491
2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 46671748
(4-chloro-2,5-difluorophenyl)-(4-propan-2-yloxyphenyl)methanone
CID 82772715
ethyl 4-chloro-2-(difluoromethoxy)-5-fluorobenzoate
CID 171005077
1-(5-chloro-2-fluoro-4-hydroxyphenyl)propan-2-one
CID 84671080

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one?
The IUPAC name of 1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one (CID 83899914) is 1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one.
What is the SMILES notation for 1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one?
The canonical SMILES for 1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one is CC(=O)Cc1cc(F)c(Cl)cc1OC(C)C.
What is the InChIKey of 1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one?
The InChIKey is YPIZPYRJCHKOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFO2/c1-7(2)16-12-6-10(13)11(14)5-9(12)4-8(3)15/h5-7H,4H2,1-3H3.
What are the key properties of 1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one?
1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one has a molecular weight of 244.69 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-fluoro-2-propan-2-yloxyphenyl)propan-2-one is sourced from PubChem (CID 83899914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).