1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene

C9H5BrF6 — CID 135743181

IUPAC1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene
SMILESCc1cc(Br)c(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C9H5BrF6/c1-4-2-5(8(11,12)13)7(6(10)3-4)9(14,15)16/h2-3H,1H3
InChIKeyDSYRJJAUEZVWSS-UHFFFAOYSA-N
MW307.03 g/mol
LogP4.80
Rot. Bonds

About 1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene

1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene (PubChem CID 135743181) has the molecular formula C9H5BrF6 and a molecular weight of 307.03 g/mol. Its IUPAC name is 1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene
PubChem CID135743181
Molecular FormulaC9H5BrF6
Molecular Weight307.03 g/mol
Exact Mass305.95
IUPAC Name1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene
SMILESCc1cc(Br)c(C(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C9H5BrF6/c1-4-2-5(8(11,12)13)7(6(10)3-4)9(14,15)16/h2-3H,1H3
InChIKeyDSYRJJAUEZVWSS-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.03
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-methyl-2-[4-methyl-2,6-bis(trifluoromethyl)phenyl]-1,3-bis(trifluoromethyl)benzene
CID 21350863
1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene
CID 162536983
2-[3-bromo-5-methyl-2-(trifluoromethyl)phenyl]acetic acid
CID 162738016
1-bromo-5-methyl-3-nitro-2-(trifluoromethyl)benzene
CID 119001679
5-methyl-2,3-bis(trifluoromethyl)benzoic acid
CID 119020616
4-methyl-2,6-bis(trifluoromethyl)aniline
CID 58782199
2-(2-bromo-4,6-dimethylphenyl)propan-2-amine
CID 84801577
4-methyl-2,6-bis(trifluoromethyl)benzenesulfonamide
CID 119021771
3-bromo-1,4-dimethyl-2,5-bis(trifluoromethyl)benzene
CID 50742071
3-bromo-5-methyl-4-(trifluoromethyl)phenol
CID 131628338
1-bromo-4,5-difluoro-3-methyl-2-(trifluoromethyl)benzene
CID 170917204
2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655958

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene?
The IUPAC name of 1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene (CID 135743181) is 1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene is Cc1cc(Br)c(C(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene?
The InChIKey is DSYRJJAUEZVWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF6/c1-4-2-5(8(11,12)13)7(6(10)3-4)9(14,15)16/h2-3H,1H3.
What are the key properties of 1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene?
1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene has a molecular weight of 307.03 g/mol, XLogP of 4.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-methyl-2,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 135743181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).