1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol

C14H18FN3O — CID 114872482

IUPAC1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol
SMILESCCn1ncnc1CC(O)(CC)c1cccc(F)c1
InChIInChI=1S/C14H18FN3O/c1-3-14(19,11-6-5-7-12(15)8-11)9-13-16-10-17-18(13)4-2/h5-8,10,19H,3-4,9H2,1-2H3
InChIKeySXDRMKWLMKTMNT-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.28
Rot. Bonds5

About 1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol

1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol (PubChem CID 114872482) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol
PubChem CID114872482
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol
SMILESCCn1ncnc1CC(O)(CC)c1cccc(F)c1
InChIInChI=1S/C14H18FN3O/c1-3-14(19,11-6-5-7-12(15)8-11)9-13-16-10-17-18(13)4-2/h5-8,10,19H,3-4,9H2,1-2H3
InChIKeySXDRMKWLMKTMNT-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylbutan-1-ol
CID 66058099
3-[1-(2-ethyl-1,2,4-triazol-3-yl)-2-hydroxypropan-2-yl]benzonitrile
CID 115481288
CID 59612023
CID 59612023
1-(5-ethyl-2-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872587
2-(3-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]propane-1,3-diol
CID 79449892
2-(3-fluorophenyl)-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-amine
CID 114872762
5-[3-chloro-2-(chloromethyl)-2-phenylpropyl]-1-ethyl-1,2,4-triazole
CID 79447337
3-(3-fluorophenyl)oct-6-yn-3-ol
CID 114872593
1-(3-ethyltriazol-4-yl)-1-(3-fluorophenyl)ethanol
CID 114212982
1-(3-chloro-4-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872585
5-[2-(3-bromophenyl)-3-chloro-2-(chloromethyl)propyl]-1-ethyl-1,2,4-triazole
CID 79453425

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol?
The IUPAC name of 1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol (CID 114872482) is 1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol.
What is the SMILES notation for 1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol?
The canonical SMILES for 1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol is CCn1ncnc1CC(O)(CC)c1cccc(F)c1.
What is the InChIKey of 1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol?
The InChIKey is SXDRMKWLMKTMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-14(19,11-6-5-7-12(15)8-11)9-13-16-10-17-18(13)4-2/h5-8,10,19H,3-4,9H2,1-2H3.
What are the key properties of 1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol?
1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol has a molecular weight of 263.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol is sourced from PubChem (CID 114872482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).