1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene

C10H8ClF3O — CID 18930258

IUPAC1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cccc(/C=C/CCl)c1
InChIInChI=1S/C10H8ClF3O/c11-6-2-4-8-3-1-5-9(7-8)15-10(12,13)14/h1-5,7H,6H2/b4-2+
InChIKeyMBSBJTRYBBVKFL-DUXPYHPUSA-N
MW236.62 g/mol
LogP3.84
Rot. Bonds3

About 1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene

1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene (PubChem CID 18930258) has the molecular formula C10H8ClF3O and a molecular weight of 236.62 g/mol. Its IUPAC name is 1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene
PubChem CID18930258
Molecular FormulaC10H8ClF3O
Molecular Weight236.62 g/mol
Exact Mass236.02
IUPAC Name1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cccc(/C=C/CCl)c1
InChIInChI=1S/C10H8ClF3O/c11-6-2-4-8-3-1-5-9(7-8)15-10(12,13)14/h1-5,7H,6H2/b4-2+
InChIKeyMBSBJTRYBBVKFL-DUXPYHPUSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 131874378
2-[3-(trifluoromethoxy)phenyl]ethenamine
CID 141333954
1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843
1-[(Z)-prop-1-enyl]-3-(trifluoromethoxy)benzene
CID 89117521
N-methyl-4-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 79591557
(Z)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 7567628
(E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 6930859
1-[(E)-3-phenylprop-2-enoxy]-3-(trifluoromethoxy)benzene
CID 135029746
S-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl] ethanethioate
CID 170480677
N-[4-[3-(trifluoromethoxy)phenyl]but-3-enyl]cyclopropanamine
CID 79592096
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene (CID 18930258) is 1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene is FC(F)(F)Oc1cccc(/C=C/CCl)c1.
What is the InChIKey of 1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene?
The InChIKey is MBSBJTRYBBVKFL-DUXPYHPUSA-N. The full InChI is InChI=1S/C10H8ClF3O/c11-6-2-4-8-3-1-5-9(7-8)15-10(12,13)14/h1-5,7H,6H2/b4-2+.
What are the key properties of 1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene?
1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene has a molecular weight of 236.62 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-chloroprop-1-enyl]-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 18930258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).