1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol

C13H15ClFN3O — CID 114454223

IUPAC1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H15ClFN3O/c1-2-3-18-13(16-8-17-18)7-12(19)9-4-10(14)6-11(15)5-9/h4-6,8,12,19H,2-3,7H2,1H3
InChIKeySRXXAIKHXPHZHF-UHFFFAOYSA-N
MW283.73 g/mol
LogP2.76
Rot. Bonds5

About 1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol

1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 114454223) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
PubChem CID114454223
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
SMILESCCCn1ncnc1CC(O)c1cc(F)cc(Cl)c1
InChIInChI=1S/C13H15ClFN3O/c1-2-3-18-13(16-8-17-18)7-12(19)9-4-10(14)6-11(15)5-9/h4-6,8,12,19H,2-3,7H2,1H3
InChIKeySRXXAIKHXPHZHF-UHFFFAOYSA-N
XLogP2.76
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114638648
1-(4-methylsulfonylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 115816575
1-(4-chlorophenyl)sulfanyl-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol
CID 66144345
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109760
1-(2-ethyl-5-methylpyrazol-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109691
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572689
1-(5-methylpyrazin-2-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 105109766
[2-(2-propyl-1,2,4-triazol-3-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208183
2-[(3-fluorophenyl)methyl]-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-ol
CID 66057605
3,4-dimethyl-1-(2-propyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 115816529
3-propyl-1-(2-propyl-1,2,4-triazol-3-yl)hexan-2-ol
CID 115816584
1-(2-methylfuran-3-yl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol
CID 104789442

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol (CID 114454223) is 1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is CCCn1ncnc1CC(O)c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is SRXXAIKHXPHZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c1-2-3-18-13(16-8-17-18)7-12(19)9-4-10(14)6-11(15)5-9/h4-6,8,12,19H,2-3,7H2,1H3.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol?
1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 283.73 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 114454223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).