2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene

C9H4BrF7 — CID 134623922

IUPAC2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene
SMILESFc1c(C(F)(F)F)ccc(C(F)(F)F)c1CBr
InChIInChI=1S/C9H4BrF7/c10-3-4-5(8(12,13)14)1-2-6(7(4)11)9(15,16)17/h1-2H,3H2
InChIKeyIEDXKMMUVFDVBU-UHFFFAOYSA-N
MW325.02 g/mol
LogP4.76
Rot. Bonds1

About 2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene

2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene (PubChem CID 134623922) has the molecular formula C9H4BrF7 and a molecular weight of 325.02 g/mol. Its IUPAC name is 2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene
PubChem CID134623922
Molecular FormulaC9H4BrF7
Molecular Weight325.02 g/mol
Exact Mass323.94
IUPAC Name2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene
SMILESFc1c(C(F)(F)F)ccc(C(F)(F)F)c1CBr
InChIInChI=1S/C9H4BrF7/c10-3-4-5(8(12,13)14)1-2-6(7(4)11)9(15,16)17/h1-2H,3H2
InChIKeyIEDXKMMUVFDVBU-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.02
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-3-fluoro-4-(trifluoromethyl)aniline
CID 134630714
2-(bromomethyl)-3,6-bis(trifluoromethyl)benzonitrile
CID 134623919
1-bromo-2-(chloromethyl)-3-fluoro-4-(trifluoromethyl)benzene
CID 130758378
3-bromo-1-(bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 171007707
bis[3-(bromomethyl)-2-fluoro-6-(trifluoromethyl)phenyl]methanone
CID 139698449
2-(bromomethyl)-3-chloro-6-(trifluoromethyl)aniline
CID 118998697
1-(bromomethyl)-3-ethyl-2,4-bis(trifluoromethyl)benzene
CID 135742793
1-(chloromethyl)-2,3-difluoro-4-(trifluoromethyl)benzene
CID 121234690
2-bromo-3-(chloromethyl)-1-fluoro-4-(trifluoromethyl)benzene
CID 131533803
1-(chloromethyl)-3-fluoro-2,4-bis(trifluoromethyl)benzene
CID 134617827
2-bromo-1-chloro-3-fluoro-4-(trifluoromethyl)benzene
CID 171032702
2,3-difluoro-4-(trifluoromethyl)aniline
CID 2735902

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene?
The IUPAC name of 2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene (CID 134623922) is 2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene is Fc1c(C(F)(F)F)ccc(C(F)(F)F)c1CBr.
What is the InChIKey of 2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene?
The InChIKey is IEDXKMMUVFDVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF7/c10-3-4-5(8(12,13)14)1-2-6(7(4)11)9(15,16)17/h1-2H,3H2.
What are the key properties of 2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene?
2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene has a molecular weight of 325.02 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-fluoro-1,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 134623922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).