1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one

C10H10ClFO2 — CID 118830150

IUPAC1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(Cl)c1OCF
InChIInChI=1S/C10H10ClFO2/c1-2-9(13)7-4-3-5-8(11)10(7)14-6-12/h3-5H,2,6H2,1H3
InChIKeySYWJDROPLNEQQN-UHFFFAOYSA-N
MW216.64 g/mol
LogP3.24
Rot. Bonds4

About 1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one

1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one (PubChem CID 118830150) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one
PubChem CID118830150
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one
SMILESCCC(=O)c1cccc(Cl)c1OCF
InChIInChI=1S/C10H10ClFO2/c1-2-9(13)7-4-3-5-8(11)10(7)14-6-12/h3-5H,2,6H2,1H3
InChIKeySYWJDROPLNEQQN-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 69108587
1-[3-chloro-2-(dimethylamino)phenyl]propan-1-one
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CID 54508940
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
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CID 112611877
3-(3-chloro-2-methoxyphenyl)-3-oxopropanoic acid
CID 19869661
1-(3-chloro-2-prop-2-enoxyphenyl)ethanone
CID 82078008
1-(7-chloro-1H-indol-3-yl)propan-1-one
CID 103474389
1-[2-(2-bromoethoxy)-3-chlorophenyl]ethanone
CID 82093759
2-(2,6-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60626540

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one?
The IUPAC name of 1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one (CID 118830150) is 1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one.
What is the SMILES notation for 1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one?
The canonical SMILES for 1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one is CCC(=O)c1cccc(Cl)c1OCF.
What is the InChIKey of 1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one?
The InChIKey is SYWJDROPLNEQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-2-9(13)7-4-3-5-8(11)10(7)14-6-12/h3-5H,2,6H2,1H3.
What are the key properties of 1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one?
1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one has a molecular weight of 216.64 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-2-(fluoromethoxy)phenyl]propan-1-one is sourced from PubChem (CID 118830150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).