1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone

C10H10ClFO2 — CID 171005984

IUPAC1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone
SMILESCCOc1c(F)ccc(C(C)=O)c1Cl
InChIInChI=1S/C10H10ClFO2/c1-3-14-10-8(12)5-4-7(6(2)13)9(10)11/h4-5H,3H2,1-2H3
InChIKeyHEXNKDHMFCXSFG-UHFFFAOYSA-N
MW216.64 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone

1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone (PubChem CID 171005984) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is 1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone
PubChem CID171005984
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Name1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone
SMILESCCOc1c(F)ccc(C(C)=O)c1Cl
InChIInChI=1S/C10H10ClFO2/c1-3-14-10-8(12)5-4-7(6(2)13)9(10)11/h4-5H,3H2,1-2H3
InChIKeyHEXNKDHMFCXSFG-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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Related Compounds

1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
CID 130752787
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
1-(2-chloro-4-fluoro-3-methylsulfanylphenyl)ethanone
CID 171367885
1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone
CID 83885927
1-[3-chloro-4-ethoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171007428
2-chloro-N,N-diethyl-4-fluoro-3-methoxybenzamide
CID 162421154
2-chloro-4-fluoro-3-methoxybenzamide
CID 163198226
1-(2-ethoxy-4-fluorophenyl)ethanone
CID 63067474
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
ethyl 3-chloro-2-ethoxy-6-fluorobenzoate
CID 163198213
2-ethoxy-1,4-difluoro-3-methoxybenzene
CID 146035302
1-[3-ethoxy-4-iodo-2-(trifluoromethyl)phenyl]ethanone
CID 171020983

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone?
The IUPAC name of 1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone (CID 171005984) is 1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone is CCOc1c(F)ccc(C(C)=O)c1Cl.
What is the InChIKey of 1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone?
The InChIKey is HEXNKDHMFCXSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-3-14-10-8(12)5-4-7(6(2)13)9(10)11/h4-5H,3H2,1-2H3.
What are the key properties of 1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone?
1-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone 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-(2-chloro-3-ethoxy-4-fluorophenyl)ethanone is sourced from PubChem (CID 171005984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).