1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene

C10H7BrF4 — CID 175235216

IUPAC1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)ccc1CC=CBr
InChIInChI=1S/C10H7BrF4/c11-5-1-2-7-3-4-8(6-9(7)12)10(13,14)15/h1,3-6H,2H2
InChIKeySFGJFHMUKVZGRT-UHFFFAOYSA-N
MW283.06 g/mol
LogP4.30
Rot. Bonds2

About 1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene

1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene (PubChem CID 175235216) has the molecular formula C10H7BrF4 and a molecular weight of 283.06 g/mol. Its IUPAC name is 1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene
PubChem CID175235216
Molecular FormulaC10H7BrF4
Molecular Weight283.06 g/mol
Exact Mass281.97
IUPAC Name1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)ccc1CC=CBr
InChIInChI=1S/C10H7BrF4/c11-5-1-2-7-3-4-8(6-9(7)12)10(13,14)15/h1,3-6H,2H2
InChIKeySFGJFHMUKVZGRT-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.06
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene
CID 142793986
O-[2-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 117319005
1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 155024076
1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene
CID 162566787
2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 91755373
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]cyclopropan-1-ol
CID 117339846
2-fluoro-1-[2-(4-propylcyclohexyl)ethyl]-4-(trifluoromethyl)benzene
CID 139608148
[2-fluoro-4-(trifluoromethyl)phenyl]methyl-triphenylphosphanium
CID 158973128
[2-[2-fluoro-4-(trifluoromethyl)phenyl]acetyl] cyclopropanecarboxylate
CID 175237979
3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117414551
3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463995
N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 143092544

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene (CID 175235216) is 1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene is Fc1cc(C(F)(F)F)ccc1CC=CBr.
What is the InChIKey of 1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene?
The InChIKey is SFGJFHMUKVZGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF4/c11-5-1-2-7-3-4-8(6-9(7)12)10(13,14)15/h1,3-6H,2H2.
What are the key properties of 1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene?
1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene has a molecular weight of 283.06 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoprop-2-enyl)-2-fluoro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 175235216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).