1-(3-chloro-5-fluorophenyl)propan-1-one;ethane

C11H14ClFO — CID 162236083

IUPAC1-(3-chloro-5-fluorophenyl)propan-1-one;ethane
SMILESCC.CCC(=O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H8ClFO.C2H6/c1-2-9(12)6-3-7(10)5-8(11)4-6;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyZWBPKDQBMOHCEH-UHFFFAOYSA-N
MW216.68 g/mol
LogP4.10
Rot. Bonds2

About 1-(3-chloro-5-fluorophenyl)propan-1-one;ethane

1-(3-chloro-5-fluorophenyl)propan-1-one;ethane (PubChem CID 162236083) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)propan-1-one;ethane.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)propan-1-one;ethane
PubChem CID162236083
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name1-(3-chloro-5-fluorophenyl)propan-1-one;ethane
SMILESCC.CCC(=O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H8ClFO.C2H6/c1-2-9(12)6-3-7(10)5-8(11)4-6;1-2/h3-5H,2H2,1H3;1-2H3
InChIKeyZWBPKDQBMOHCEH-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-(3-chloro-5-fluorophenyl)ethanone
CID 86639184
1-(3-chloro-5-fluorophenyl)octan-1-one
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3-chloro-N-ethyl-5-fluorobenzamide
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5-(3-chloro-5-fluorophenyl)-5-oxopentanoic acid
CID 2757592
2-chloro-1-(3-chloro-5-fluorophenyl)butan-1-one
CID 130820578
1-(3-chloro-5-fluorophenyl)-2,2-dimethylbutan-1-one
CID 24724053
1-[3-chloro-5-(trifluoromethylsulfanyl)phenyl]propan-1-one
CID 166640865
1-(3-fluoro-5-propoxyphenyl)propan-1-one
CID 91655290
1-(3-chloro-5-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 105412246
2-[(3-chloro-5-fluorobenzoyl)amino]acetic acid
CID 175668363
N-(4-amino-4-oxobutan-2-yl)-3-chloro-5-fluoro-N-methylbenzamide
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2-chloro-1-(3-fluoro-5-methylphenyl)ethanone
CID 91636154

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)propan-1-one;ethane?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)propan-1-one;ethane (CID 162236083) is 1-(3-chloro-5-fluorophenyl)propan-1-one;ethane.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)propan-1-one;ethane?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)propan-1-one;ethane is CC.CCC(=O)c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)propan-1-one;ethane?
The InChIKey is ZWBPKDQBMOHCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO.C2H6/c1-2-9(12)6-3-7(10)5-8(11)4-6;1-2/h3-5H,2H2,1H3;1-2H3.
What are the key properties of 1-(3-chloro-5-fluorophenyl)propan-1-one;ethane?
1-(3-chloro-5-fluorophenyl)propan-1-one;ethane has a molecular weight of 216.68 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)propan-1-one;ethane is sourced from PubChem (CID 162236083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).