1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform

C9H6BrClF6 — CID 156612938

IUPAC1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform
SMILESFC(F)(F)c1cc(Cl)cc(CBr)c1.FC(F)F
InChIInChI=1S/C8H5BrClF3.CHF3/c9-4-5-1-6(8(11,12)13)3-7(10)2-5;2-1(3)4/h1-3H,4H2;1H
InChIKeyQKNUDQAQEBKPPW-UHFFFAOYSA-N
MW343.49 g/mol
LogP5.43
Rot. Bonds1

About 1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform

1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform (PubChem CID 156612938) has the molecular formula C9H6BrClF6 and a molecular weight of 343.49 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform.

Molecular Properties

Compound Name1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform
PubChem CID156612938
Molecular FormulaC9H6BrClF6
Molecular Weight343.49 g/mol
Exact Mass341.92
IUPAC Name1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform
SMILESFC(F)(F)c1cc(Cl)cc(CBr)c1.FC(F)F
InChIInChI=1S/C8H5BrClF3.CHF3/c9-4-5-1-6(8(11,12)13)3-7(10)2-5;2-1(3)4/h1-3H,4H2;1H
InChIKeyQKNUDQAQEBKPPW-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.49
LogP ≤ 55.43
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

1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
CID 3714672
1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene;hydrobromide
CID 162568084
1-chloro-3,5-bis(trifluoromethyl)benzene
CID 2769405
1-(bromomethyl)-3-chloro-5-(difluoromethyl)benzene
CID 178067006
3-bromo-4-[3-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 116700838
2-bromo-1-[3-chloro-5-(trifluoromethyl)phenyl]-4-methylpentan-3-one
CID 116700840
2-bromo-1-[3-chloro-5-(trifluoromethyl)phenyl]-4,4-dimethylpentan-3-one
CID 116700834
5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene
CID 134623558
1-(bromomethyl)-3-(2,3-dichlorophenyl)-5-(trifluoromethyl)benzene
CID 134625577
4-[3-chloro-5-(trifluoromethyl)phenyl]butanoic acid
CID 117108467
1-chloro-3-fluoro-5-(trifluoromethyl)benzene
CID 19612353
(1S)-1-[3-chloro-5-(trifluoromethyl)phenyl]-2,2-difluoroethanamine
CID 131306985

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform?
The IUPAC name of 1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform (CID 156612938) is 1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform.
What is the SMILES notation for 1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform?
The canonical SMILES for 1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform is FC(F)(F)c1cc(Cl)cc(CBr)c1.FC(F)F.
What is the InChIKey of 1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform?
The InChIKey is QKNUDQAQEBKPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrClF3.CHF3/c9-4-5-1-6(8(11,12)13)3-7(10)2-5;2-1(3)4/h1-3H,4H2;1H.
What are the key properties of 1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform?
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform has a molecular weight of 343.49 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene;fluoroform is sourced from PubChem (CID 156612938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).