1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene

C10H7BrClF3O — CID 174173769

IUPAC1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene
SMILESC=CCc1c(OC(F)(F)F)ccc(Br)c1Cl
InChIInChI=1S/C10H7BrClF3O/c1-2-3-6-8(16-10(13,14)15)5-4-7(11)9(6)12/h2,4-5H,1,3H2
InChIKeyWAMKWEUOCRARCW-UHFFFAOYSA-N
MW315.52 g/mol
LogP4.73
Rot. Bonds3

About 1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene

1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene (PubChem CID 174173769) has the molecular formula C10H7BrClF3O and a molecular weight of 315.52 g/mol. Its IUPAC name is 1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene
PubChem CID174173769
Molecular FormulaC10H7BrClF3O
Molecular Weight315.52 g/mol
Exact Mass313.93
IUPAC Name1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene
SMILESC=CCc1c(OC(F)(F)F)ccc(Br)c1Cl
InChIInChI=1S/C10H7BrClF3O/c1-2-3-6-8(16-10(13,14)15)5-4-7(11)9(6)12/h2,4-5H,1,3H2
InChIKeyWAMKWEUOCRARCW-UHFFFAOYSA-N
XLogP4.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-2-chloro-3-prop-2-enyl-4-(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

2-prop-2-enyl-3-(trifluoromethoxy)benzaldehyde
CID 87727622
N-[3-bromo-2-chloro-6-(trifluoromethoxy)phenyl]acetamide
CID 166071388
3-bromo-N-prop-2-enyl-4-(trifluoromethoxy)aniline
CID 107336373
1-bromo-2,4-dimethoxy-3-prop-2-enylbenzene
CID 51033165
1-bromo-2-(chloromethyl)-3-(trifluoromethoxy)benzene
CID 75537263
3-bromo-N-but-3-enyl-4-(trifluoromethoxy)aniline
CID 107336219
2-[3-chloro-4-(trifluoromethoxy)phenyl]acetaldehyde
CID 146002660
1-bromo-2-chloro-3-methylsulfanyl-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 164578579
2-bromo-4-hept-6-enoxy-1-(trifluoromethoxy)benzene
CID 107007309
[2-bromo-6-(trifluoromethoxy)phenyl]methanol
CID 66770602
4-bromo-2-(chloromethyl)-1-(trifluoromethoxy)benzene
CID 72699152
2-(aminomethyl)-6-chloro-3-(trifluoromethoxy)aniline
CID 119001366

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene (CID 174173769) is 1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene is C=CCc1c(OC(F)(F)F)ccc(Br)c1Cl.
What is the InChIKey of 1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene?
The InChIKey is WAMKWEUOCRARCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClF3O/c1-2-3-6-8(16-10(13,14)15)5-4-7(11)9(6)12/h2,4-5H,1,3H2.
What are the key properties of 1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene?
1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene has a molecular weight of 315.52 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-chloro-3-prop-2-enyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 174173769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).