1-(4-chloro-2-fluorophenyl)ethanone;ethane

C10H12ClFO — CID 142194505

IUPAC1-(4-chloro-2-fluorophenyl)ethanone;ethane
SMILESCC.CC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C8H6ClFO.C2H6/c1-5(11)7-3-2-6(9)4-8(7)10;1-2/h2-4H,1H3;1-2H3
InChIKeyWSMFOFBKSCBAKD-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.71
Rot. Bonds1

About 1-(4-chloro-2-fluorophenyl)ethanone;ethane

1-(4-chloro-2-fluorophenyl)ethanone;ethane (PubChem CID 142194505) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)ethanone;ethane.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)ethanone;ethane
PubChem CID142194505
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name1-(4-chloro-2-fluorophenyl)ethanone;ethane
SMILESCC.CC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C8H6ClFO.C2H6/c1-5(11)7-3-2-6(9)4-8(7)10;1-2/h2-4H,1H3;1-2H3
InChIKeyWSMFOFBKSCBAKD-UHFFFAOYSA-N
XLogP3.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)ethanone;ethane
CID 145081107
2-bromo-1-(4-chloro-2-fluorophenyl)ethanone
CID 22121443
1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
CID 82782556
2-(4-chloro-2-fluorophenyl)-2-oxoacetic acid
CID 70204169
2-acetyl-5-chlorobenzoic acid
CID 11229391
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110
1-[4-chloro-2-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651099
1-(4-amino-2-fluorophenyl)ethanone;hydrochloride
CID 118817764
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
2-acetyl-4-chlorobenzamide
CID 157282795
(4-chloro-2-fluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115791460
(4-chloro-2-fluorophenyl)-(2,3,4,5,6-pentafluorophenyl)methanone
CID 115791516

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)ethanone;ethane?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)ethanone;ethane (CID 142194505) is 1-(4-chloro-2-fluorophenyl)ethanone;ethane.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)ethanone;ethane?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)ethanone;ethane is CC.CC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)ethanone;ethane?
The InChIKey is WSMFOFBKSCBAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO.C2H6/c1-5(11)7-3-2-6(9)4-8(7)10;1-2/h2-4H,1H3;1-2H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)ethanone;ethane?
1-(4-chloro-2-fluorophenyl)ethanone;ethane has a molecular weight of 202.66 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)ethanone;ethane is sourced from PubChem (CID 142194505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).