1-chloro-2-ethyl-3-fluorobenzene

C8H8ClF — CID 2040163

IUPAC1-chloro-2-ethyl-3-fluorobenzene
SMILESCCc1c(F)cccc1Cl
InChIInChI=1S/C8H8ClF/c1-2-6-7(9)4-3-5-8(6)10/h3-5H,2H2,1H3
InChIKeyGQLPCLGFCZRSHI-UHFFFAOYSA-N
MW158.60 g/mol
LogP3.04
Rot. Bonds1

About 1-chloro-2-ethyl-3-fluorobenzene

1-chloro-2-ethyl-3-fluorobenzene (PubChem CID 2040163) has the molecular formula C8H8ClF and a molecular weight of 158.60 g/mol. Its IUPAC name is 1-chloro-2-ethyl-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-ethyl-3-fluorobenzene
PubChem CID2040163
Molecular FormulaC8H8ClF
Molecular Weight158.60 g/mol
Exact Mass158.03
IUPAC Name1-chloro-2-ethyl-3-fluorobenzene
SMILESCCc1c(F)cccc1Cl
InChIInChI=1S/C8H8ClF/c1-2-6-7(9)4-3-5-8(6)10/h3-5H,2H2,1H3
InChIKeyGQLPCLGFCZRSHI-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.60
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethyl-3-fluorobenzene?
The IUPAC name of 1-chloro-2-ethyl-3-fluorobenzene (CID 2040163) is 1-chloro-2-ethyl-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-ethyl-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-ethyl-3-fluorobenzene is CCc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-2-ethyl-3-fluorobenzene?
The InChIKey is GQLPCLGFCZRSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF/c1-2-6-7(9)4-3-5-8(6)10/h3-5H,2H2,1H3.
What are the key properties of 1-chloro-2-ethyl-3-fluorobenzene?
1-chloro-2-ethyl-3-fluorobenzene has a molecular weight of 158.60 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethyl-3-fluorobenzene is sourced from PubChem (CID 2040163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).