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

C10H7Br2F3O — CID 142613990

IUPAC1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccc(C=C(Br)Br)cc1
InChIInChI=1S/C10H7Br2F3O/c11-9(12)5-7-1-3-8(4-2-7)16-6-10(13,14)15/h1-5H,6H2
InChIKeyMMLZVGYIDWZCRE-UHFFFAOYSA-N
MW359.97 g/mol
LogP4.72
Rot. Bonds3

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

1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene (PubChem CID 142613990) has the molecular formula C10H7Br2F3O and a molecular weight of 359.97 g/mol. Its IUPAC name is 1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene
PubChem CID142613990
Molecular FormulaC10H7Br2F3O
Molecular Weight359.97 g/mol
Exact Mass357.88
IUPAC Name1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene
SMILESFC(F)(F)COc1ccc(C=C(Br)Br)cc1
InChIInChI=1S/C10H7Br2F3O/c11-9(12)5-7-1-3-8(4-2-7)16-6-10(13,14)15/h1-5H,6H2
InChIKeyMMLZVGYIDWZCRE-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.97
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[4-(2,2,2-trifluoroethoxy)phenyl]prop-2-ene-1-thiol
CID 170803827
CID 89284542
CID 89284542
1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene
CID 67763209
(E)-3-(4-methylphenyl)-1-[4-(2,2,2-trifluoroethoxy)phenyl]prop-2-en-1-one
CID 132555327
4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol
CID 136880814
2-bromo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 130995615
1-(3-iodopropoxy)-4-(2,2,2-trifluoroethoxy)benzene
CID 119093818
phenol;2,2,2-trifluoroethoxybenzene
CID 174967121
(E)-3-[4-[4-(2,2,2-trifluoroethoxy)benzoyl]oxyphenyl]prop-2-enoic acid
CID 66822705
[4-(2,2,2-trifluoroethoxy)phenyl] 4-[2-(3,5-diaminophenyl)-3-ethoxy-3-oxoprop-1-enyl]benzoate
CID 175184030

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene (CID 142613990) is 1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene is FC(F)(F)COc1ccc(C=C(Br)Br)cc1.
What is the InChIKey of 1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is MMLZVGYIDWZCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Br2F3O/c11-9(12)5-7-1-3-8(4-2-7)16-6-10(13,14)15/h1-5H,6H2.
What are the key properties of 1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene?
1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 359.97 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dibromoethenyl)-4-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 142613990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).