1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene

C9H5BrF4 — CID 177498684

IUPAC1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene
SMILESF/C(Br)=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H5BrF4/c10-8(11)5-6-2-1-3-7(4-6)9(12,13)14/h1-5H/b8-5+
InChIKeyHIJAEAQKYNVVNU-VMPITWQZSA-N
MW269.04 g/mol
LogP4.37
Rot. Bonds1

About 1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene

1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene (PubChem CID 177498684) has the molecular formula C9H5BrF4 and a molecular weight of 269.04 g/mol. Its IUPAC name is 1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene
PubChem CID177498684
Molecular FormulaC9H5BrF4
Molecular Weight269.04 g/mol
Exact Mass267.95
IUPAC Name1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene
SMILESF/C(Br)=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H5BrF4/c10-8(11)5-6-2-1-3-7(4-6)9(12,13)14/h1-5H/b8-5+
InChIKeyHIJAEAQKYNVVNU-VMPITWQZSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.04
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis[(E)-2-bromo-2-fluoroethenyl]benzene
CID 125476830
1-[2-(bromomethyl)but-1-enyl]-3-(trifluoromethyl)benzene
CID 79323133
methyl (E)-2-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
CID 11010176
3-oxo-2-[[3-(trifluoromethyl)phenyl]methylidene]butanoic acid
CID 54484419
1-bromo-3-(dimethylamino)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 150639885
3-methyl-N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylidene]butan-1-amine
CID 79342888
1-(cyclopropylidenemethyl)-3-(trifluoromethyl)benzene
CID 89386202
2-[3-(trifluoromethyl)phenyl]ethenone
CID 13054863
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
2-acetamido-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 67302082
1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene
CID 79016492
(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl chloride
CID 5375564

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene (CID 177498684) is 1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene is F/C(Br)=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene?
The InChIKey is HIJAEAQKYNVVNU-VMPITWQZSA-N. The full InChI is InChI=1S/C9H5BrF4/c10-8(11)5-6-2-1-3-7(4-6)9(12,13)14/h1-5H/b8-5+.
What are the key properties of 1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene?
1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene has a molecular weight of 269.04 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-bromo-2-fluoroethenyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 177498684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).