1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene

C11H10ClF3O — CID 77051712

IUPAC1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1OCC=CCCl
InChIInChI=1S/C11H10ClF3O/c12-7-3-4-8-16-10-6-2-1-5-9(10)11(13,14)15/h1-6H,7-8H2
InChIKeyPFQCREYTGWQJPA-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.88
Rot. Bonds4

About 1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene

1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene (PubChem CID 77051712) has the molecular formula C11H10ClF3O and a molecular weight of 250.65 g/mol. Its IUPAC name is 1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene
PubChem CID77051712
Molecular FormulaC11H10ClF3O
Molecular Weight250.65 g/mol
Exact Mass250.04
IUPAC Name1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccccc1OCC=CCCl
InChIInChI=1S/C11H10ClF3O/c12-7-3-4-8-16-10-6-2-1-5-9(10)11(13,14)15/h1-6H,7-8H2
InChIKeyPFQCREYTGWQJPA-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobut-2-enoxy)-2-iodobenzene
CID 77051500
1-(4-chlorobut-2-enoxy)-2-propan-2-ylbenzene
CID 77051602
1-[2-[(Z)-4-chlorobut-2-enoxy]phenyl]ethanone
CID 67710478
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270
methyl 2-(4-chlorobut-2-enoxy)benzoate
CID 77051271
methyl 2-methyl-4-[2-(trifluoromethyl)phenoxy]but-2-enoate
CID 77076452
2-tert-butyl-1-(4-chlorobut-2-enoxy)-4-ethylbenzene
CID 77051207
1-(2-methoxyethoxy)-2-(trifluoromethyl)benzene
CID 25185445
2,3-bis[2-[(E)-but-2-enoxy]phenyl]butane-2,3-diol
CID 12072336
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111107570
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene (CID 77051712) is 1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene is FC(F)(F)c1ccccc1OCC=CCCl.
What is the InChIKey of 1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene?
The InChIKey is PFQCREYTGWQJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3O/c12-7-3-4-8-16-10-6-2-1-5-9(10)11(13,14)15/h1-6H,7-8H2.
What are the key properties of 1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene?
1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene has a molecular weight of 250.65 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobut-2-enoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 77051712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).