2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

C13H12F2N6O — CID 3365

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IUPAC2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
InChIKeyRFHAOTPXVQNOHP-UHFFFAOYSA-N
MW306.28 g/mol
LogP0.74
Rot. Bonds5

About 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol

2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol (PubChem CID 3365) has the molecular formula C13H12F2N6O and a molecular weight of 306.28 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
PubChem CID3365
Molecular FormulaC13H12F2N6O
Molecular Weight306.28 g/mol
Exact Mass306.10
IUPAC Name2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
SMILESOC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2
InChIKeyRFHAOTPXVQNOHP-UHFFFAOYSA-N
XLogP0.74
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Flutriafol
CID 91727
Efinaconazole
CID 489181
Fosfluconazole
CID 214356
Genaconazole
CID 452261
Simeconazole
CID 10085783
1-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-ethanol
CID 4563415
Iodiconazole
CID 11641580
alpha-(2,4-Difluorophenyl)-1H-1,2,4-triazole-1-ethanol
CID 6426669
Sch 42426
CID 456601
1H-1,2,4-Triazole-1-ethanol, alpha,alpha-diphenyl-
CID 156749
1,1-Difluoro-2-(4-fluorophenyl)-1-(2-thienyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 485897
2-(4-Fluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol
CID 134034

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol (CID 3365) is 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol is OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol?
The InChIKey is RFHAOTPXVQNOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2.
What are the key properties of 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol has a molecular weight of 306.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol is sourced from PubChem (CID 3365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).