5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene

C10H10BrF3 — CID 171016848

IUPAC5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene
SMILESCc1cc(CBr)cc(C)c1C(F)(F)F
InChIInChI=1S/C10H10BrF3/c1-6-3-8(5-11)4-7(2)9(6)10(12,13)14/h3-4H,5H2,1-2H3
InChIKeyZQIGCVJJJRVVGX-UHFFFAOYSA-N
MW267.09 g/mol
LogP4.22
Rot. Bonds1

About 5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene

5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene (PubChem CID 171016848) has the molecular formula C10H10BrF3 and a molecular weight of 267.09 g/mol. Its IUPAC name is 5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene
PubChem CID171016848
Molecular FormulaC10H10BrF3
Molecular Weight267.09 g/mol
Exact Mass265.99
IUPAC Name5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene
SMILESCc1cc(CBr)cc(C)c1C(F)(F)F
InChIInChI=1S/C10H10BrF3/c1-6-3-8(5-11)4-7(2)9(6)10(12,13)14/h3-4H,5H2,1-2H3
InChIKeyZQIGCVJJJRVVGX-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 54.22
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

5-(bromomethyl)-1,3-dimethyl-2-(2,2,2-trifluoroethoxy)benzene
CID 43141520
5-tert-butyl-1,3-dimethyl-2-(trifluoromethyl)benzene
CID 116964832
1-bromo-5-(bromomethyl)-2-methyl-3-(trifluoromethyl)benzene
CID 146676150
5-(bromomethyl)-1,3-dimethyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzene
CID 61490739
1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene;hydrobromide
CID 162568084
5-(bromomethyl)-2-chloro-1,3-bis(trifluoromethyl)benzene
CID 134623558
5-(bromomethyl)-N,3-dimethyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 107080687
1-(bromomethyl)-2-methyl-4,5-bis(trifluoromethyl)benzene
CID 135743210
4-[3-methyl-5-methylsulfanyl-4-(trifluoromethyl)phenyl]butan-1-amine
CID 90212889
3-bromo-1,4-dimethyl-2,5-bis(trifluoromethyl)benzene
CID 50742071
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846
1-(bromomethyl)-3-chloro-5-(trifluoromethyl)benzene
CID 3714672

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene?
The IUPAC name of 5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene (CID 171016848) is 5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene is Cc1cc(CBr)cc(C)c1C(F)(F)F.
What is the InChIKey of 5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene?
The InChIKey is ZQIGCVJJJRVVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3/c1-6-3-8(5-11)4-7(2)9(6)10(12,13)14/h3-4H,5H2,1-2H3.
What are the key properties of 5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene?
5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene has a molecular weight of 267.09 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1,3-dimethyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 171016848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).