1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol

C13H10BrF3N2O — CID 178113422

IUPAC1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol
SMILESCc1cnnc(C(O)(c2ccc(Br)cc2)C(F)(F)F)c1
InChIInChI=1S/C13H10BrF3N2O/c1-8-6-11(19-18-7-8)12(20,13(15,16)17)9-2-4-10(14)5-3-9/h2-7,20H,1H3
InChIKeySENDGBMRVCKNRA-UHFFFAOYSA-N
MW347.13 g/mol
LogP3.35
Rot. Bonds2

About 1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol

1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol (PubChem CID 178113422) has the molecular formula C13H10BrF3N2O and a molecular weight of 347.13 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol
PubChem CID178113422
Molecular FormulaC13H10BrF3N2O
Molecular Weight347.13 g/mol
Exact Mass345.99
IUPAC Name1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol
SMILESCc1cnnc(C(O)(c2ccc(Br)cc2)C(F)(F)F)c1
InChIInChI=1S/C13H10BrF3N2O/c1-8-6-11(19-18-7-8)12(20,13(15,16)17)9-2-4-10(14)5-3-9/h2-7,20H,1H3
InChIKeySENDGBMRVCKNRA-UHFFFAOYSA-N
XLogP3.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(+/-) 3-alpha-Hydroxybenzylpyridazine
CID 10397539
1-Phenyl-1-pyridazin-3-ylethanol
CID 15684261
Diphenyl(pyridazin-3-yl)methanol
CID 10264686
(3-Bromo-2-fluorophenyl)(pyridazin-3-yl)methanol
CID 86730395
2-(4-Bromo-2-fluorophenyl)-1-pyridazin-4-ylethanol
CID 105089146
2-(4-Bromo-2-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105089173
2-(3-Bromo-2,6-difluorophenyl)-1-pyridazin-4-ylethanol
CID 106274400
(2-Ethylphenyl)-pyridazin-3-ylmethanol
CID 21387578
3-[(2-Bromophenyl)-methoxymethyl]pyridazine
CID 21387583
(2-Methylphenyl)-pyridazin-3-ylmethanol
CID 21387678
(2-Bromophenyl)-pyridazin-3-ylmethanol
CID 21387711
2-Phenyl-1-pyridazin-3-ylethanol
CID 68975604

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol?
The IUPAC name of 1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol (CID 178113422) is 1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol.
What is the SMILES notation for 1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol?
The canonical SMILES for 1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol is Cc1cnnc(C(O)(c2ccc(Br)cc2)C(F)(F)F)c1.
What is the InChIKey of 1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol?
The InChIKey is SENDGBMRVCKNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3N2O/c1-8-6-11(19-18-7-8)12(20,13(15,16)17)9-2-4-10(14)5-3-9/h2-7,20H,1H3.
What are the key properties of 1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol?
1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol has a molecular weight of 347.13 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,2,2-trifluoro-1-(5-methylpyridazin-3-yl)ethanol is sourced from PubChem (CID 178113422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).