[2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol

C11H10BrF3O — CID 169476264

IUPAC[2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)ccc1C=CCBr
InChIInChI=1S/C11H10BrF3O/c12-5-1-2-8-3-4-10(11(13,14)15)6-9(8)7-16/h1-4,6,16H,5,7H2
InChIKeyMMZKGCXADUYDLI-UHFFFAOYSA-N
MW295.10 g/mol
LogP3.61
Rot. Bonds3

About [2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol

[2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol (PubChem CID 169476264) has the molecular formula C11H10BrF3O and a molecular weight of 295.10 g/mol. Its IUPAC name is [2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol
PubChem CID169476264
Molecular FormulaC11H10BrF3O
Molecular Weight295.10 g/mol
Exact Mass293.99
IUPAC Name[2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)ccc1C=CCBr
InChIInChI=1S/C11H10BrF3O/c12-5-1-2-8-3-4-10(11(13,14)15)6-9(8)7-16/h1-4,6,16H,5,7H2
InChIKeyMMZKGCXADUYDLI-UHFFFAOYSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromoprop-1-enyl)-2-chloro-4-(trifluoromethyl)benzene
CID 169476529
1-bromo-2-(3-bromoprop-1-enyl)-4-(trifluoromethyl)benzene
CID 169476626
methyl 3-[2-(hydroxymethyl)-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 169479615
[2-(2-diethoxyphosphorylethenyl)-5-(trifluoromethyl)phenyl]methanol
CID 54304124
4-[2-fluoro-4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477046
(E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 143575574
4-[2-amino-5-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477172
2-[3-(methylamino)prop-1-enyl]-4-(trifluoromethyl)phenol
CID 169474120
4-[2-bromo-4-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 170488006
3-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463995
3-[2,4-bis(trifluoromethyl)phenyl]propan-1-ol;(E)-3-[2,4-bis(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 160511690
(E)-3-[2-propyl-4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 58111807

Frequently Asked Questions

What is the IUPAC name of [2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol (CID 169476264) is [2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol is OCc1cc(C(F)(F)F)ccc1C=CCBr.
What is the InChIKey of [2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is MMZKGCXADUYDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3O/c12-5-1-2-8-3-4-10(11(13,14)15)6-9(8)7-16/h1-4,6,16H,5,7H2.
What are the key properties of [2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol?
[2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 295.10 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-bromoprop-1-enyl)-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 169476264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).