[2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol

C16H14FN3O — CID 71137338

IUPAC[2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol
SMILESOCc1nn(-c2ccc(CF)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H14FN3O/c17-10-12-6-8-14(9-7-12)20-18-15(11-21)16(19-20)13-4-2-1-3-5-13/h1-9,21H,10-11H2
InChIKeyFPEIAWUXJCRFBZ-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.90
Rot. Bonds4

About [2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol

[2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol (PubChem CID 71137338) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is [2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol
PubChem CID71137338
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name[2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol
SMILESOCc1nn(-c2ccc(CF)cc2)nc1-c1ccccc1
InChIInChI=1S/C16H14FN3O/c17-10-12-6-8-14(9-7-12)20-18-15(11-21)16(19-20)13-4-2-1-3-5-13/h1-9,21H,10-11H2
InChIKeyFPEIAWUXJCRFBZ-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol?
The IUPAC name of [2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol (CID 71137338) is [2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol.
What is the SMILES notation for [2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol?
The canonical SMILES for [2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol is OCc1nn(-c2ccc(CF)cc2)nc1-c1ccccc1.
What is the InChIKey of [2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol?
The InChIKey is FPEIAWUXJCRFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-10-12-6-8-14(9-7-12)20-18-15(11-21)16(19-20)13-4-2-1-3-5-13/h1-9,21H,10-11H2.
What are the key properties of [2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol?
[2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol has a molecular weight of 283.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(fluoromethyl)phenyl]-5-phenyltriazol-4-yl]methanol is sourced from PubChem (CID 71137338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).