2-[4-(2-fluorophenyl)triazol-1-yl]phenol

C14H10FN3O — CID 170905349

IUPAC2-[4-(2-fluorophenyl)triazol-1-yl]phenol
SMILESOc1ccccc1-n1cc(-c2ccccc2F)nn1
InChIInChI=1S/C14H10FN3O/c15-11-6-2-1-5-10(11)12-9-18(17-16-12)13-7-3-4-8-14(13)19/h1-9,19H
InChIKeySMNXQCVAYVYLMO-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.78
Rot. Bonds2

About 2-[4-(2-fluorophenyl)triazol-1-yl]phenol

2-[4-(2-fluorophenyl)triazol-1-yl]phenol (PubChem CID 170905349) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)triazol-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)triazol-1-yl]phenol
PubChem CID170905349
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name2-[4-(2-fluorophenyl)triazol-1-yl]phenol
SMILESOc1ccccc1-n1cc(-c2ccccc2F)nn1
InChIInChI=1S/C14H10FN3O/c15-11-6-2-1-5-10(11)12-9-18(17-16-12)13-7-3-4-8-14(13)19/h1-9,19H
InChIKeySMNXQCVAYVYLMO-UHFFFAOYSA-N
XLogP2.78
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)triazol-1-yl]phenol?
The IUPAC name of 2-[4-(2-fluorophenyl)triazol-1-yl]phenol (CID 170905349) is 2-[4-(2-fluorophenyl)triazol-1-yl]phenol.
What is the SMILES notation for 2-[4-(2-fluorophenyl)triazol-1-yl]phenol?
The canonical SMILES for 2-[4-(2-fluorophenyl)triazol-1-yl]phenol is Oc1ccccc1-n1cc(-c2ccccc2F)nn1.
What is the InChIKey of 2-[4-(2-fluorophenyl)triazol-1-yl]phenol?
The InChIKey is SMNXQCVAYVYLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-11-6-2-1-5-10(11)12-9-18(17-16-12)13-7-3-4-8-14(13)19/h1-9,19H.
What are the key properties of 2-[4-(2-fluorophenyl)triazol-1-yl]phenol?
2-[4-(2-fluorophenyl)triazol-1-yl]phenol has a molecular weight of 255.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)triazol-1-yl]phenol is sourced from PubChem (CID 170905349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).