[1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

C15H14FN3OS — CID 82203937

IUPAC[1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccccc2F)c1Cc1cccs1
InChIInChI=1S/C15H14FN3OS/c16-13-6-2-1-4-11(13)9-19-15(14(10-20)17-18-19)8-12-5-3-7-21-12/h1-7,20H,8-10H2
InChIKeyHUNOIYHFXUWZAR-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.61
Rot. Bonds5

About [1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

[1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 82203937) has the molecular formula C15H14FN3OS and a molecular weight of 303.36 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
PubChem CID82203937
Molecular FormulaC15H14FN3OS
Molecular Weight303.36 g/mol
Exact Mass303.08
IUPAC Name[1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccccc2F)c1Cc1cccs1
InChIInChI=1S/C15H14FN3OS/c16-13-6-2-1-4-11(13)9-19-15(14(10-20)17-18-19)8-12-5-3-7-21-12/h1-7,20H,8-10H2
InChIKeyHUNOIYHFXUWZAR-UHFFFAOYSA-N
XLogP2.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (CID 82203937) is [1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is OCc1nnn(Cc2ccccc2F)c1Cc1cccs1.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is HUNOIYHFXUWZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3OS/c16-13-6-2-1-4-11(13)9-19-15(14(10-20)17-18-19)8-12-5-3-7-21-12/h1-7,20H,8-10H2.
What are the key properties of [1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
[1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 303.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82203937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).