1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol

C10H9Br2F3O — CID 81473324

IUPAC1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol
SMILESCc1cc(Br)c(C(O)CC(F)(F)F)cc1Br
InChIInChI=1S/C10H9Br2F3O/c1-5-2-8(12)6(3-7(5)11)9(16)4-10(13,14)15/h2-3,9,16H,4H2,1H3
InChIKeyGSNDWZNXJQDGHU-UHFFFAOYSA-N
MW361.98 g/mol
LogP4.51
Rot. Bonds2

About 1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol

1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol (PubChem CID 81473324) has the molecular formula C10H9Br2F3O and a molecular weight of 361.98 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol
PubChem CID81473324
Molecular FormulaC10H9Br2F3O
Molecular Weight361.98 g/mol
Exact Mass359.90
IUPAC Name1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol
SMILESCc1cc(Br)c(C(O)CC(F)(F)F)cc1Br
InChIInChI=1S/C10H9Br2F3O/c1-5-2-8(12)6(3-7(5)11)9(16)4-10(13,14)15/h2-3,9,16H,4H2,1H3
InChIKeyGSNDWZNXJQDGHU-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.98
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromo-4-methylphenyl)-2-(4-fluorophenyl)ethanol
CID 81473232
1-(2,5-dibromo-4-methylphenyl)-3-methylpentan-1-ol
CID 114875970
1,4-dibromo-2-(1-chloro-2,2,2-trifluoroethyl)-5-methylbenzene
CID 81473344
3,3,3-trifluoro-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 62791994
1-(4-bromo-2,5-dimethoxyphenyl)-3,3,3-trifluoropropan-1-ol
CID 105057029
1-bromo-5-(1-chloro-3,3,3-trifluoropropyl)-4-methoxy-2-methylbenzene
CID 65432991
1-(2-chloro-4-fluoro-5-methylphenyl)-3,3,3-trifluoropropan-1-ol
CID 81046025
1-(2-bromo-4,5-dimethylphenyl)butan-1-ol
CID 83988264
2-(2,5-dibromo-4-methylphenyl)-2-hydroxyacetic acid
CID 171003131
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
CID 65433362
(2,5-dibromo-4-methylphenyl)-(2,4,6-trifluorophenyl)methanol
CID 81473551
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol (CID 81473324) is 1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol is Cc1cc(Br)c(C(O)CC(F)(F)F)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol?
The InChIKey is GSNDWZNXJQDGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F3O/c1-5-2-8(12)6(3-7(5)11)9(16)4-10(13,14)15/h2-3,9,16H,4H2,1H3.
What are the key properties of 1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol?
1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol has a molecular weight of 361.98 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-methylphenyl)-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 81473324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).