1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone

C10H10ClFO — CID 117289595

IUPAC1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
SMILESCCc1cc(C(C)=O)cc(Cl)c1F
InChIInChI=1S/C10H10ClFO/c1-3-7-4-8(6(2)13)5-9(11)10(7)12/h4-5H,3H2,1-2H3
InChIKeyFLAXASNCPDAGLD-UHFFFAOYSA-N
MW200.64 g/mol
LogP3.24
Rot. Bonds2

About 1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone

1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone (PubChem CID 117289595) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
PubChem CID117289595
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone
SMILESCCc1cc(C(C)=O)cc(Cl)c1F
InChIInChI=1S/C10H10ClFO/c1-3-7-4-8(6(2)13)5-9(11)10(7)12/h4-5H,3H2,1-2H3
InChIKeyFLAXASNCPDAGLD-UHFFFAOYSA-N
XLogP3.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(3-chloro-5-ethyl-4-fluorophenyl)propan-1-one
CID 117331420
1-(3-bromo-5-ethyl-4-fluorophenyl)ethanone
CID 117363982
1-(3-chloro-5-ethyl-2-fluorophenyl)ethanone
CID 117289594
2-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-ol
CID 117308733
3-chloro-5-ethyl-4-fluorobenzonitrile
CID 117279673
2-(4-acetyl-2-chlorophenyl)acetic acid
CID 23106770
1-(3-chloro-5-ethyl-4-fluorophenyl)propan-2-amine
CID 117307518
1-(3-chloro-5-ethyl-4-fluorophenyl)cyclopropan-1-ol
CID 117305955
1-(7-chloro-6-ethylnaphthalen-2-yl)ethanone
CID 123412123
1-(5-chloro-3-ethyl-4-fluoro-2-hydroxyphenyl)ethanone;ethane
CID 145146839
2-amino-2-(3-chloro-5-ethyl-4-fluorophenyl)ethanol
CID 117310399
3-chloro-4,5-difluorobenzoyl fluoride
CID 19850493

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone (CID 117289595) is 1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone is CCc1cc(C(C)=O)cc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone?
The InChIKey is FLAXASNCPDAGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-3-7-4-8(6(2)13)5-9(11)10(7)12/h4-5H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone?
1-(3-chloro-5-ethyl-4-fluorophenyl)ethanone has a molecular weight of 200.64 g/mol, XLogP of 3.24, 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-ethyl-4-fluorophenyl)ethanone is sourced from PubChem (CID 117289595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).