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

C14H12FN3OS — CID 82203514

IUPAC[1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccc(F)cc2)c1-c1cccs1
InChIInChI=1S/C14H12FN3OS/c15-11-5-3-10(4-6-11)8-18-14(12(9-19)16-17-18)13-2-1-7-20-13/h1-7,19H,8-9H2
InChIKeyYUPTYNOGBSFHOZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.69
Rot. Bonds4

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

[1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol (PubChem CID 82203514) has the molecular formula C14H12FN3OS and a molecular weight of 289.34 g/mol. Its IUPAC name is [1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
PubChem CID82203514
Molecular FormulaC14H12FN3OS
Molecular Weight289.34 g/mol
Exact Mass289.07
IUPAC Name[1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
SMILESOCc1nnn(Cc2ccc(F)cc2)c1-c1cccs1
InChIInChI=1S/C14H12FN3OS/c15-11-5-3-10(4-6-11)8-18-14(12(9-19)16-17-18)13-2-1-7-20-13/h1-7,19H,8-9H2
InChIKeyYUPTYNOGBSFHOZ-UHFFFAOYSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Benzyl-5-fluoro-4-thiophen-3-yltriazole
CID 177852728
[1-(2-Fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 82196478
[1-(2-Fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82196504
[1-(4-Fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 82196762
[1-(4-Fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82196792
[1-(3-Fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol
CID 82197032
[1-(3-Fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82197062
1-[(4-Fluorophenyl)methyl]-5-thiophen-2-yltriazole-4-carboxylic acid
CID 82202312
1-[(2-Fluorophenyl)methyl]-5-thiophen-2-yltriazole-4-carboxylic acid
CID 82202313
[1-[(4-Fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82203538
[1-[(2-Fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 82203916
[1-[(2-Fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82203937

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol (CID 82203514) is [1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol is OCc1nnn(Cc2ccc(F)cc2)c1-c1cccs1.
What is the InChIKey of [1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol?
The InChIKey is YUPTYNOGBSFHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-11-5-3-10(4-6-11)8-18-14(12(9-19)16-17-18)13-2-1-7-20-13/h1-7,19H,8-9H2.
What are the key properties of [1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol?
[1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol has a molecular weight of 289.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 82203514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).