[1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

C14H12FN3OS — CID 82197062

IUPAC[1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(F)c2)c1Cc1cccs1
InChIInChI=1S/C14H12FN3OS/c15-10-3-1-4-11(7-10)18-14(13(9-19)16-17-18)8-12-5-2-6-20-12/h1-7,19H,8-9H2
InChIKeyOKMFNICHXNJJRF-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.55
Rot. Bonds4

About [1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol

[1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (PubChem CID 82197062) has the molecular formula C14H12FN3OS and a molecular weight of 289.33 g/mol. Its IUPAC name is [1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
PubChem CID82197062
Molecular FormulaC14H12FN3OS
Molecular Weight289.33 g/mol
Exact Mass289.07
IUPAC Name[1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
SMILESOCc1nnn(-c2cccc(F)c2)c1Cc1cccs1
InChIInChI=1S/C14H12FN3OS/c15-10-3-1-4-11(7-10)18-14(13(9-19)16-17-18)8-12-5-2-6-20-12/h1-7,19H,8-9H2
InChIKeyOKMFNICHXNJJRF-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(Hydroxymethyl)-5-thiophen-2-yltriazol-1-yl]benzenesulfonamide
CID 145984802
[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-Methylsulfanylphenyl)-5-(trifluoromethyl)triazol-4-yl]methanol
CID 82200908
1-(2-Fluorophenyl)-5-(thiophen-2-ylmethyl)triazole-4-carboxylic acid
CID 82201299
1-(4-Fluorophenyl)-5-(thiophen-2-ylmethyl)triazole-4-carboxylic acid
CID 82201300
1-(3-Fluorophenyl)-5-(thiophen-2-ylmethyl)triazole-4-carboxylic acid
CID 82201301
[1-[(4-Fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 82203514
[1-[(4-Fluorophenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol
CID 82203538

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The IUPAC name of [1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol (CID 82197062) is [1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol.
What is the SMILES notation for [1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The canonical SMILES for [1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is OCc1nnn(-c2cccc(F)c2)c1Cc1cccs1.
What is the InChIKey of [1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
The InChIKey is OKMFNICHXNJJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3OS/c15-10-3-1-4-11(7-10)18-14(13(9-19)16-17-18)8-12-5-2-6-20-12/h1-7,19H,8-9H2.
What are the key properties of [1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol?
[1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol has a molecular weight of 289.33 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluorophenyl)-5-(thiophen-2-ylmethyl)triazol-4-yl]methanol is sourced from PubChem (CID 82197062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).