2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol

C13H16FN3O — CID 114686351

IUPAC2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)Cc1ccccc1F
InChIInChI=1S/C13H16FN3O/c1-2-7-17-12(9-15-16-17)13(18)8-10-5-3-4-6-11(10)14/h3-6,9,13,18H,2,7-8H2,1H3
InChIKeyXTMNOSBPFMBCOW-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.10
Rot. Bonds5

About 2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol

2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol (PubChem CID 114686351) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol
PubChem CID114686351
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol
SMILESCCCn1nncc1C(O)Cc1ccccc1F
InChIInChI=1S/C13H16FN3O/c1-2-7-17-12(9-15-16-17)13(18)8-10-5-3-4-6-11(10)14/h3-6,9,13,18H,2,7-8H2,1H3
InChIKeyXTMNOSBPFMBCOW-UHFFFAOYSA-N
XLogP2.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686339
2-(2,3-difluorophenyl)-1-(3-propyltriazol-4-yl)ethanamine
CID 105038776
2-(3-bromophenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686324
(2-bromo-3-fluorophenyl)-(3-propyltriazol-4-yl)methanol
CID 115834049
2-(3,5-dimethylphenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686393
1-(2-ethylpyrazol-3-yl)-2-(2-fluorophenyl)ethanol
CID 63977415
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
2-methoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686354
1-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)methanamine
CID 114688524
(2,3-difluorophenyl)-(3-propyltriazol-4-yl)methanamine
CID 105038745
2-ethoxy-1-(3-propyltriazol-4-yl)ethanol
CID 114686533
(3-propyltriazol-4-yl)-(3,4,5-trifluorophenyl)methanol
CID 114684911

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol?
The IUPAC name of 2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol (CID 114686351) is 2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol is CCCn1nncc1C(O)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol?
The InChIKey is XTMNOSBPFMBCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-2-7-17-12(9-15-16-17)13(18)8-10-5-3-4-6-11(10)14/h3-6,9,13,18H,2,7-8H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol?
2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol has a molecular weight of 249.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol is sourced from PubChem (CID 114686351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).