4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol

C14H8ClF2N3O — CID 135518183

IUPAC4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1n[nH]c(-c2c(F)cccc2F)n1
InChIInChI=1S/C14H8ClF2N3O/c15-7-4-5-11(21)8(6-7)13-18-14(20-19-13)12-9(16)2-1-3-10(12)17/h1-6,21H,(H,18,19,20)
InChIKeyAUVAPZFNSMQZJN-UHFFFAOYSA-N
MW307.69 g/mol
LogP3.78
Rot. Bonds2

About 4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol

4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 135518183) has the molecular formula C14H8ClF2N3O and a molecular weight of 307.69 g/mol. Its IUPAC name is 4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol
PubChem CID135518183
Molecular FormulaC14H8ClF2N3O
Molecular Weight307.69 g/mol
Exact Mass307.03
IUPAC Name4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1-c1n[nH]c(-c2c(F)cccc2F)n1
InChIInChI=1S/C14H8ClF2N3O/c15-7-4-5-11(21)8(6-7)13-18-14(20-19-13)12-9(16)2-1-3-10(12)17/h1-6,21H,(H,18,19,20)
InChIKeyAUVAPZFNSMQZJN-UHFFFAOYSA-N
XLogP3.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol (CID 135518183) is 4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol is Oc1ccc(Cl)cc1-c1n[nH]c(-c2c(F)cccc2F)n1.
What is the InChIKey of 4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is AUVAPZFNSMQZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2N3O/c15-7-4-5-11(21)8(6-7)13-18-14(20-19-13)12-9(16)2-1-3-10(12)17/h1-6,21H,(H,18,19,20).
What are the key properties of 4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol?
4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 307.69 g/mol, XLogP of 3.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(2,6-difluorophenyl)-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135518183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).