1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene

C10H8BrF3 — CID 164649403

IUPAC1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene
SMILESC/C(=C/c1ccc(F)c(F)c1F)CBr
InChIInChI=1S/C10H8BrF3/c1-6(5-11)4-7-2-3-8(12)10(14)9(7)13/h2-4H,5H2,1H3/b6-4-
InChIKeyGTNPFIYQMKFKEA-XQRVVYSFSA-N
MW265.07 g/mol
LogP3.90
Rot. Bonds2

About 1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene

1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene (PubChem CID 164649403) has the molecular formula C10H8BrF3 and a molecular weight of 265.07 g/mol. Its IUPAC name is 1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene.

Molecular Properties

Compound Name1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene
PubChem CID164649403
Molecular FormulaC10H8BrF3
Molecular Weight265.07 g/mol
Exact Mass263.98
IUPAC Name1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene
SMILESC/C(=C/c1ccc(F)c(F)c1F)CBr
InChIInChI=1S/C10H8BrF3/c1-6(5-11)4-7-2-3-8(12)10(14)9(7)13/h2-4H,5H2,1H3/b6-4-
InChIKeyGTNPFIYQMKFKEA-XQRVVYSFSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-2-fluorobenzene
CID 114867400
2-[(Z)-3-bromo-2-methylprop-1-enyl]-4-chloro-1-fluorobenzene
CID 114867402
4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene
CID 79321674
4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
CID 79324340
(2Z)-3-oxo-2-[(2,3,4-trifluorophenyl)methylidene]butanoic acid
CID 70486561
(E)-2-acetamido-3-(2,3,4-trifluorophenyl)prop-2-enoic acid
CID 113458160
1-(3-bromo-2-methylprop-1-enyl)naphthalene
CID 79323656
S-[3-(2,3,4-trifluorophenyl)prop-2-enyl] ethanethioate
CID 169457005
[(E)-3-bromo-2-methylprop-1-enyl]benzene
CID 10910824
methyl (E)-3-(2,3,4-trifluorophenyl)prop-2-enoate
CID 131886234
[(E)-3-(4-bromo-2,3-difluorophenyl)-2-methylprop-2-enoxy]-tri(propan-2-yl)silane
CID 178080159
4-(3-bromo-2-methylprop-1-enyl)pyridine
CID 79322993

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene?
The IUPAC name of 1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene (CID 164649403) is 1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene.
What is the SMILES notation for 1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene?
The canonical SMILES for 1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene is C/C(=C/c1ccc(F)c(F)c1F)CBr.
What is the InChIKey of 1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene?
The InChIKey is GTNPFIYQMKFKEA-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H8BrF3/c1-6(5-11)4-7-2-3-8(12)10(14)9(7)13/h2-4H,5H2,1H3/b6-4-.
What are the key properties of 1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene?
1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene has a molecular weight of 265.07 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene is sourced from PubChem (CID 164649403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).