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

C10H10ClFO2 — CID 11074818

IUPAC1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(OC)c(Cl)cc1F
InChIInChI=1S/C10H10ClFO2/c1-3-9(13)6-4-10(14-2)7(11)5-8(6)12/h4-5H,3H2,1-2H3
InChIKeyGTJDPYUJOBAMIL-UHFFFAOYSA-N
MW216.64 g/mol
LogP3.08
Rot. Bonds3

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

1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one (PubChem CID 11074818) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one
PubChem CID11074818
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(OC)c(Cl)cc1F
InChIInChI=1S/C10H10ClFO2/c1-3-9(13)6-4-10(14-2)7(11)5-8(6)12/h4-5H,3H2,1-2H3
InChIKeyGTJDPYUJOBAMIL-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one (CID 11074818) is 1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one is CCC(=O)c1cc(OC)c(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one?
The InChIKey is GTJDPYUJOBAMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-3-9(13)6-4-10(14-2)7(11)5-8(6)12/h4-5H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one?
1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one has a molecular weight of 216.64 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluoro-5-methoxyphenyl)propan-1-one is sourced from PubChem (CID 11074818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).