[3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol

C8H5BrF3IO — CID 171002471

IUPAC[3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(C(F)(F)F)c(Br)c1I
InChIInChI=1S/C8H5BrF3IO/c9-6-5(8(10,11)12)2-1-4(3-14)7(6)13/h1-2,14H,3H2
InChIKeyFBVCJGLNRLGHKE-UHFFFAOYSA-N
MW380.93 g/mol
LogP3.56
Rot. Bonds1

About [3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol

[3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol (PubChem CID 171002471) has the molecular formula C8H5BrF3IO and a molecular weight of 380.93 g/mol. Its IUPAC name is [3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol
PubChem CID171002471
Molecular FormulaC8H5BrF3IO
Molecular Weight380.93 g/mol
Exact Mass379.85
IUPAC Name[3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(C(F)(F)F)c(Br)c1I
InChIInChI=1S/C8H5BrF3IO/c9-6-5(8(10,11)12)2-1-4(3-14)7(6)13/h1-2,14H,3H2
InChIKeyFBVCJGLNRLGHKE-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.93
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(hydroxymethyl)-6-(trifluoromethyl)benzene-1,2-diol
CID 84675776
3-bromo-1-(bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene
CID 171007707
[2-amino-3,4-bis(trifluoromethyl)phenyl]methanol
CID 119023402
[4-bromo-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118845465
(3,4-difluoro-2-iodophenyl)methanol
CID 137378555
[5-amino-2-bromo-3-(trifluoromethyl)phenyl]methanol
CID 130775166
(3-bromo-2-fluoro-4-iodophenyl)methanol
CID 131332722
[5-chloro-2-(trifluoromethyl)phenyl]methanol
CID 2778112
[2-iodo-3,4-bis(trifluoromethyl)phenyl]methanamine
CID 134638419
(3-bromo-2-iodophenyl)methanol
CID 127256333
[4-bromo-3,5-bis(trifluoromethyl)phenyl]methanol
CID 134638808
methyl 2-[3-iodo-2,4-bis(trifluoromethyl)phenyl]acetate
CID 134638465

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol (CID 171002471) is [3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol is OCc1ccc(C(F)(F)F)c(Br)c1I.
What is the InChIKey of [3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is FBVCJGLNRLGHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3IO/c9-6-5(8(10,11)12)2-1-4(3-14)7(6)13/h1-2,14H,3H2.
What are the key properties of [3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol?
[3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 380.93 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-iodo-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 171002471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).