1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene

C9H8ClF — CID 118140779

IUPAC1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene
SMILESC/C(=C\Cl)c1ccccc1F
InChIInChI=1S/C9H8ClF/c1-7(6-10)8-4-2-3-5-9(8)11/h2-6H,1H3/b7-6+
InChIKeyDALVQUUXSJHVKP-VOTSOKGWSA-N
MW170.61 g/mol
LogP3.43
Rot. Bonds1

About 1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene

1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene (PubChem CID 118140779) has the molecular formula C9H8ClF and a molecular weight of 170.61 g/mol. Its IUPAC name is 1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene
PubChem CID118140779
Molecular FormulaC9H8ClF
Molecular Weight170.61 g/mol
Exact Mass170.03
IUPAC Name1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene
SMILESC/C(=C\Cl)c1ccccc1F
InChIInChI=1S/C9H8ClF/c1-7(6-10)8-4-2-3-5-9(8)11/h2-6H,1H3/b7-6+
InChIKeyDALVQUUXSJHVKP-VOTSOKGWSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.61
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene?
The IUPAC name of 1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene (CID 118140779) is 1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene.
What is the SMILES notation for 1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene?
The canonical SMILES for 1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene is C/C(=C\Cl)c1ccccc1F.
What is the InChIKey of 1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene?
The InChIKey is DALVQUUXSJHVKP-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H8ClF/c1-7(6-10)8-4-2-3-5-9(8)11/h2-6H,1H3/b7-6+.
What are the key properties of 1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene?
1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene has a molecular weight of 170.61 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene is sourced from PubChem (CID 118140779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).