1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene

C10H8ClF3O — CID 68968630

IUPAC1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene
SMILESC=CCOc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H8ClF3O/c1-2-5-15-9-6-7(10(12,13)14)3-4-8(9)11/h2-4,6H,1,5H2
InChIKeyLEQBIHYMSGMTQI-UHFFFAOYSA-N
MW236.62 g/mol
LogP3.92
Rot. Bonds3

About 1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene

1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene (PubChem CID 68968630) has the molecular formula C10H8ClF3O and a molecular weight of 236.62 g/mol. Its IUPAC name is 1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene
PubChem CID68968630
Molecular FormulaC10H8ClF3O
Molecular Weight236.62 g/mol
Exact Mass236.02
IUPAC Name1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene
SMILESC=CCOc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H8ClF3O/c1-2-5-15-9-6-7(10(12,13)14)3-4-8(9)11/h2-4,6H,1,5H2
InChIKeyLEQBIHYMSGMTQI-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene?
The IUPAC name of 1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene (CID 68968630) is 1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene is C=CCOc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene?
The InChIKey is LEQBIHYMSGMTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF3O/c1-2-5-15-9-6-7(10(12,13)14)3-4-8(9)11/h2-4,6H,1,5H2.
What are the key properties of 1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene?
1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene has a molecular weight of 236.62 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-prop-2-enoxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 68968630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).