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

C13H10FN3OS — CID 82196762

IUPAC[1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(F)cc2)c1-c1cccs1
InChIInChI=1S/C13H10FN3OS/c14-9-3-5-10(6-4-9)17-13(11(8-18)15-16-17)12-2-1-7-19-12/h1-7,18H,8H2
InChIKeyPGIUOIHUVQFVHI-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.63
Rot. Bonds3

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

[1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol (PubChem CID 82196762) has the molecular formula C13H10FN3OS and a molecular weight of 275.31 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol
PubChem CID82196762
Molecular FormulaC13H10FN3OS
Molecular Weight275.31 g/mol
Exact Mass275.05
IUPAC Name[1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol
SMILESOCc1nnn(-c2ccc(F)cc2)c1-c1cccs1
InChIInChI=1S/C13H10FN3OS/c14-9-3-5-10(6-4-9)17-13(11(8-18)15-16-17)12-2-1-7-19-12/h1-7,18H,8H2
InChIKeyPGIUOIHUVQFVHI-UHFFFAOYSA-N
XLogP2.63
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.63
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-(4-Fluorophenyl)-5-thiophen-2-yltriazole-4-carboxylic acid
CID 24277992
{5-(4-fluorophenyl)-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56769443
{5-(3,5-difluorophenyl)-1-[3-(methylsulfanyl)phenyl]-1H-1,2,3-triazol-4-yl}methanol
CID 56769504
[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-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-(2-Fluorophenyl)-5-thiophen-2-yltriazole-4-carboxylic acid
CID 82201259
1-(3-Fluorophenyl)-5-thiophen-2-yltriazole-4-carboxylic acid
CID 82201260
[1-[(4-Fluorophenyl)methyl]-5-thiophen-2-yltriazol-4-yl]methanol
CID 82203514

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol (CID 82196762) is [1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol is OCc1nnn(-c2ccc(F)cc2)c1-c1cccs1.
What is the InChIKey of [1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
The InChIKey is PGIUOIHUVQFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3OS/c14-9-3-5-10(6-4-9)17-13(11(8-18)15-16-17)12-2-1-7-19-12/h1-7,18H,8H2.
What are the key properties of [1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol?
[1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol has a molecular weight of 275.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-5-thiophen-2-yltriazol-4-yl]methanol is sourced from PubChem (CID 82196762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).