(1-chloro-2-fluoroethyl)benzene

C8H8ClF — CID 13442930

IUPAC(1-chloro-2-fluoroethyl)benzene
SMILESFCC(Cl)c1ccccc1
InChIInChI=1S/C8H8ClF/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyDYJOJBALERNQGT-UHFFFAOYSA-N
MW158.60 g/mol
LogP2.94
Rot. Bonds2

About (1-chloro-2-fluoroethyl)benzene

(1-chloro-2-fluoroethyl)benzene (PubChem CID 13442930) has the molecular formula C8H8ClF and a molecular weight of 158.60 g/mol. Its IUPAC name is (1-chloro-2-fluoroethyl)benzene.

Molecular Properties

Compound Name(1-chloro-2-fluoroethyl)benzene
PubChem CID13442930
Molecular FormulaC8H8ClF
Molecular Weight158.60 g/mol
Exact Mass158.03
IUPAC Name(1-chloro-2-fluoroethyl)benzene
SMILESFCC(Cl)c1ccccc1
InChIInChI=1S/C8H8ClF/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKeyDYJOJBALERNQGT-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.60
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-chloro-2-fluoroethyl)benzene?
The IUPAC name of (1-chloro-2-fluoroethyl)benzene (CID 13442930) is (1-chloro-2-fluoroethyl)benzene.
What is the SMILES notation for (1-chloro-2-fluoroethyl)benzene?
The canonical SMILES for (1-chloro-2-fluoroethyl)benzene is FCC(Cl)c1ccccc1.
What is the InChIKey of (1-chloro-2-fluoroethyl)benzene?
The InChIKey is DYJOJBALERNQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF/c9-8(6-10)7-4-2-1-3-5-7/h1-5,8H,6H2.
What are the key properties of (1-chloro-2-fluoroethyl)benzene?
(1-chloro-2-fluoroethyl)benzene has a molecular weight of 158.60 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-2-fluoroethyl)benzene is sourced from PubChem (CID 13442930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).