1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene

C9H5Br2F3 — CID 175317835

IUPAC1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(Br)=CBr)cc1
InChIInChI=1S/C9H5Br2F3/c10-5-8(11)6-1-3-7(4-2-6)9(12,13)14/h1-5H
InChIKeyHYLSFSGLFLRCFC-UHFFFAOYSA-N
MW329.94 g/mol
LogP4.79
Rot. Bonds1

About 1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene

1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene (PubChem CID 175317835) has the molecular formula C9H5Br2F3 and a molecular weight of 329.94 g/mol. Its IUPAC name is 1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene
PubChem CID175317835
Molecular FormulaC9H5Br2F3
Molecular Weight329.94 g/mol
Exact Mass327.87
IUPAC Name1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(Br)=CBr)cc1
InChIInChI=1S/C9H5Br2F3/c10-5-8(11)6-1-3-7(4-2-6)9(12,13)14/h1-5H
InChIKeyHYLSFSGLFLRCFC-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.94
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(3E)-hexa-1,3,5-trien-3-yl]-4-(trifluoromethyl)benzene
CID 59194469
3-oxo-3-[4-(trifluoromethyl)phenyl]propanal
CID 43114751
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
1-[4-(trifluoromethyl)phenyl]but-3-en-1-one
CID 10488800
CID 101352816
CID 101352816
4-(trifluoromethyl)(18F)phenol
CID 71660610
(Z)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal
CID 2760760
(E)-3-hydroxy-2-[4-(trifluoromethyl)phenyl]prop-2-enal
CID 2778980
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
1-[(3Z)-4-methylhexa-1,3,5-trien-2-yl]-4-(trifluoromethyl)benzene
CID 156513207
2-methyl-3,3-bis[4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 141194647

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene (CID 175317835) is 1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene is FC(F)(F)c1ccc(C(Br)=CBr)cc1.
What is the InChIKey of 1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene?
The InChIKey is HYLSFSGLFLRCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2F3/c10-5-8(11)6-1-3-7(4-2-6)9(12,13)14/h1-5H.
What are the key properties of 1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene?
1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene has a molecular weight of 329.94 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dibromoethenyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 175317835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).