1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene

C11H10ClF3 — CID 67832522

IUPAC1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene
SMILESC=C(CCl)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C11H10ClF3/c1-8(7-12)6-9-4-2-3-5-10(9)11(13,14)15/h2-5H,1,6-7H2
InChIKeyDJQSMXXUBOMHAW-UHFFFAOYSA-N
MW234.65 g/mol
LogP4.04
Rot. Bonds3

About 1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene

1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene (PubChem CID 67832522) has the molecular formula C11H10ClF3 and a molecular weight of 234.65 g/mol. Its IUPAC name is 1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene
PubChem CID67832522
Molecular FormulaC11H10ClF3
Molecular Weight234.65 g/mol
Exact Mass234.04
IUPAC Name1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene
SMILESC=C(CCl)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C11H10ClF3/c1-8(7-12)6-9-4-2-3-5-10(9)11(13,14)15/h2-5H,1,6-7H2
InChIKeyDJQSMXXUBOMHAW-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.65
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene?
The IUPAC name of 1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene (CID 67832522) is 1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene is C=C(CCl)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene?
The InChIKey is DJQSMXXUBOMHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3/c1-8(7-12)6-9-4-2-3-5-10(9)11(13,14)15/h2-5H,1,6-7H2.
What are the key properties of 1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene?
1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene has a molecular weight of 234.65 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)prop-2-enyl]-2-(trifluoromethyl)benzene is sourced from PubChem (CID 67832522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).