1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene

C10H10ClFO — CID 10798114

IUPAC1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene
SMILESC=Cc1c(Cl)ccc(OCC)c1F
InChIInChI=1S/C10H10ClFO/c1-3-7-8(11)5-6-9(10(7)12)13-4-2/h3,5-6H,1,4H2,2H3
InChIKeyHJAUVTBGDGRDQU-UHFFFAOYSA-N
MW200.64 g/mol
LogP3.52
Rot. Bonds3

About 1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene

1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene (PubChem CID 10798114) has the molecular formula C10H10ClFO and a molecular weight of 200.64 g/mol. Its IUPAC name is 1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene
PubChem CID10798114
Molecular FormulaC10H10ClFO
Molecular Weight200.64 g/mol
Exact Mass200.04
IUPAC Name1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene
SMILESC=Cc1c(Cl)ccc(OCC)c1F
InChIInChI=1S/C10H10ClFO/c1-3-7-8(11)5-6-9(10(7)12)13-4-2/h3,5-6H,1,4H2,2H3
InChIKeyHJAUVTBGDGRDQU-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene?
The IUPAC name of 1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene (CID 10798114) is 1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene is C=Cc1c(Cl)ccc(OCC)c1F.
What is the InChIKey of 1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene?
The InChIKey is HJAUVTBGDGRDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO/c1-3-7-8(11)5-6-9(10(7)12)13-4-2/h3,5-6H,1,4H2,2H3.
What are the key properties of 1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene?
1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene has a molecular weight of 200.64 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethenyl-4-ethoxy-3-fluorobenzene is sourced from PubChem (CID 10798114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).