(2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol

C16H14FN3O — CID 132505048

IUPAC(2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol
SMILESOC[C@H](c1ccccc1)n1cc(-c2ccccc2F)nn1
InChIInChI=1S/C16H14FN3O/c17-14-9-5-4-8-13(14)15-10-20(19-18-15)16(11-21)12-6-2-1-3-7-12/h1-10,16,21H,11H2/t16-/m1/s1
InChIKeyMKAKBTHTBNRKEB-MRXNPFEDSA-N
MW283.31 g/mol
LogP2.67
Rot. Bonds4

About (2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol

(2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol (PubChem CID 132505048) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is (2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol
PubChem CID132505048
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name(2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol
SMILESOC[C@H](c1ccccc1)n1cc(-c2ccccc2F)nn1
InChIInChI=1S/C16H14FN3O/c17-14-9-5-4-8-13(14)15-10-20(19-18-15)16(11-21)12-6-2-1-3-7-12/h1-10,16,21H,11H2/t16-/m1/s1
InChIKeyMKAKBTHTBNRKEB-MRXNPFEDSA-N
XLogP2.67
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-2-(4-propyltriazol-1-yl)ethanol
CID 50905416
2-[4-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]triazol-1-yl]-2-phenylethanol
CID 118324575
carbon dioxide;4-(2-fluorophenyl)-1-phenyltriazole
CID 157125996
6-(2-fluorophenyl)-2-(2-hydroxy-2-phenylethyl)pyridazin-3-one
CID 110928593
[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]methanol
CID 115093183
(2S,5R)-4-[4-(2-fluorophenyl)triazol-1-yl]-2-[(2S)-6-[4-(2-fluorophenyl)triazol-1-yl]-6-hydroxyhexan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol
CID 70833699
4-[1-[1-(2-fluorophenyl)propyl]triazol-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 166695950
5-benzyl-N-[4-fluoro-3-[1-[(2S)-1-hydroxypropan-2-yl]triazol-4-yl]phenyl]-1-methylpyrazole-4-carboxamide
CID 167870588
4-(1-butan-2-yltriazol-4-yl)-3-fluoropyridine
CID 154743296
2-[5-(2-fluorophenyl)-4-(hydroxymethyl)triazol-1-yl]acetonitrile
CID 82206438
3-[[4-(2-fluorophenyl)triazol-1-yl]methyl]-N-hydroxybenzamide
CID 141289595
2-[(1S)-1-[4-(2,4-difluorophenyl)triazol-1-yl]ethyl]-1H-benzimidazole
CID 96580722

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol?
The IUPAC name of (2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol (CID 132505048) is (2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol?
The canonical SMILES for (2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol is OC[C@H](c1ccccc1)n1cc(-c2ccccc2F)nn1.
What is the InChIKey of (2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol?
The InChIKey is MKAKBTHTBNRKEB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-14-9-5-4-8-13(14)15-10-20(19-18-15)16(11-21)12-6-2-1-3-7-12/h1-10,16,21H,11H2/t16-/m1/s1.
What are the key properties of (2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol?
(2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol has a molecular weight of 283.31 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(2-fluorophenyl)triazol-1-yl]-2-phenylethanol is sourced from PubChem (CID 132505048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).