(R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol

C16H13F2N3O — CID 99778568

IUPAC(R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nncn1Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2N3O/c17-13-7-6-11(8-14(13)18)9-21-10-19-20-16(21)15(22)12-4-2-1-3-5-12/h1-8,10,15,22H,9H2/t15-/m1/s1
InChIKeySOVXNVCHOMMWDT-OAHLLOKOSA-N
MW301.30 g/mol
LogP2.69
Rot. Bonds4

About (R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol

(R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol (PubChem CID 99778568) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is (R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol
PubChem CID99778568
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name(R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)c1nncn1Cc1ccc(F)c(F)c1
InChIInChI=1S/C16H13F2N3O/c17-13-7-6-11(8-14(13)18)9-21-10-19-20-16(21)15(22)12-4-2-1-3-5-12/h1-8,10,15,22H,9H2/t15-/m1/s1
InChIKeySOVXNVCHOMMWDT-OAHLLOKOSA-N
XLogP2.69
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol?
The IUPAC name of (R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol (CID 99778568) is (R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol.
What is the SMILES notation for (R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol?
The canonical SMILES for (R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol is O[C@H](c1ccccc1)c1nncn1Cc1ccc(F)c(F)c1.
What is the InChIKey of (R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol?
The InChIKey is SOVXNVCHOMMWDT-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-13-7-6-11(8-14(13)18)9-21-10-19-20-16(21)15(22)12-4-2-1-3-5-12/h1-8,10,15,22H,9H2/t15-/m1/s1.
What are the key properties of (R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol?
(R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol has a molecular weight of 301.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]-phenylmethanol is sourced from PubChem (CID 99778568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).