2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol

C11H9ClF3N3O — CID 72923582

IUPAC2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1ncnc1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H9ClF3N3O/c12-9-2-1-7(11(13,14)15)5-8(9)10-16-6-17-18(10)3-4-19/h1-2,5-6,19H,3-4H2
InChIKeyFRMKTJSECUDWOV-UHFFFAOYSA-N
MW291.66 g/mol
LogP2.61
Rot. Bonds3

About 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol

2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 72923582) has the molecular formula C11H9ClF3N3O and a molecular weight of 291.66 g/mol. Its IUPAC name is 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID72923582
Molecular FormulaC11H9ClF3N3O
Molecular Weight291.66 g/mol
Exact Mass291.04
IUPAC Name2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol
SMILESOCCn1ncnc1-c1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C11H9ClF3N3O/c12-9-2-1-7(11(13,14)15)5-8(9)10-16-6-17-18(10)3-4-19/h1-2,5-6,19H,3-4H2
InChIKeyFRMKTJSECUDWOV-UHFFFAOYSA-N
XLogP2.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-2-(4-methylphenyl)-4-(trifluoromethyl)benzene
CID 162568601
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1,2,4-triazole
CID 163359401
5,7-dichloro-6-[2-chloro-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 10133594
5-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxylic acid
CID 51368412
1,4-dichloro-2-[2-fluoro-5-(trifluoromethyl)phenyl]benzene
CID 134618163
2-(2-hydroxyethyl)-5-(trifluoromethyl)pyridazin-3-one
CID 164645130
6-[4-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrol-2-yl]-N-methylpyrimidin-4-amine
CID 175315515
(NZ)-N-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydroxylamine
CID 28689333
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbaldehyde
CID 623670
1-chloro-2-(3-chlorophenyl)-4-(trifluoromethyl)benzene
CID 91233147
5-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylpyridine-2-carboxamide
CID 171682359
2-[4-[[2-methyl-5-(trifluoromethyl)anilino]methyl]pyrazol-1-yl]ethanol
CID 66480146

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol (CID 72923582) is 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol is OCCn1ncnc1-c1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is FRMKTJSECUDWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O/c12-9-2-1-7(11(13,14)15)5-8(9)10-16-6-17-18(10)3-4-19/h1-2,5-6,19H,3-4H2.
What are the key properties of 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol?
2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 291.66 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72923582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).