(2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol

C18H15F4N3O2 — CID 90242640

IUPAC(2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol
SMILESC[C@@](O)(Cc1ncn[nH]1)c1ccc(Oc2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H15F4N3O2/c1-17(26,9-16-23-10-24-25-16)14-7-6-13(8-15(14)18(20,21)22)27-12-4-2-11(19)3-5-12/h2-8,10,26H,9H2,1H3,(H,23,24,25)/t17-/m1/s1
InChIKeyVLVNYMXRQMSSNG-QGZVFWFLSA-N
MW381.33 g/mol
LogP4.21
Rot. Bonds5

About (2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol

(2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol (PubChem CID 90242640) has the molecular formula C18H15F4N3O2 and a molecular weight of 381.33 g/mol. Its IUPAC name is (2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol
PubChem CID90242640
Molecular FormulaC18H15F4N3O2
Molecular Weight381.33 g/mol
Exact Mass381.11
IUPAC Name(2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol
SMILESC[C@@](O)(Cc1ncn[nH]1)c1ccc(Oc2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C18H15F4N3O2/c1-17(26,9-16-23-10-24-25-16)14-7-6-13(8-15(14)18(20,21)22)27-12-4-2-11(19)3-5-12/h2-8,10,26H,9H2,1H3,(H,23,24,25)/t17-/m1/s1
InChIKeyVLVNYMXRQMSSNG-QGZVFWFLSA-N
XLogP4.21
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol?
The IUPAC name of (2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol (CID 90242640) is (2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol.
What is the SMILES notation for (2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol?
The canonical SMILES for (2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol is C[C@@](O)(Cc1ncn[nH]1)c1ccc(Oc2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of (2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol?
The InChIKey is VLVNYMXRQMSSNG-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15F4N3O2/c1-17(26,9-16-23-10-24-25-16)14-7-6-13(8-15(14)18(20,21)22)27-12-4-2-11(19)3-5-12/h2-8,10,26H,9H2,1H3,(H,23,24,25)/t17-/m1/s1.
What are the key properties of (2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol?
(2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol has a molecular weight of 381.33 g/mol, XLogP of 4.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]-1-(1H-1,2,4-triazol-5-yl)propan-2-ol is sourced from PubChem (CID 90242640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).