[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol

C11H7F6N3O2 — CID 87118079

IUPAC[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESOCc1c(C(F)(F)F)nnn1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H7F6N3O2/c12-10(13,14)9-7(5-21)20(19-18-9)6-3-1-2-4-8(6)22-11(15,16)17/h1-4,21H,5H2
InChIKeySVAOLOVRQXHLNP-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.68
Rot. Bonds3

About [3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol

[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol (PubChem CID 87118079) has the molecular formula C11H7F6N3O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is [3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol
PubChem CID87118079
Molecular FormulaC11H7F6N3O2
Molecular Weight327.18 g/mol
Exact Mass327.04
IUPAC Name[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol
SMILESOCc1c(C(F)(F)F)nnn1-c1ccccc1OC(F)(F)F
InChIInChI=1S/C11H7F6N3O2/c12-10(13,14)9-7(5-21)20(19-18-9)6-3-1-2-4-8(6)22-11(15,16)17/h1-4,21H,5H2
InChIKeySVAOLOVRQXHLNP-UHFFFAOYSA-N
XLogP2.68
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol?
The IUPAC name of [3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol (CID 87118079) is [3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol.
What is the SMILES notation for [3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol?
The canonical SMILES for [3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol is OCc1c(C(F)(F)F)nnn1-c1ccccc1OC(F)(F)F.
What is the InChIKey of [3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol?
The InChIKey is SVAOLOVRQXHLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6N3O2/c12-10(13,14)9-7(5-21)20(19-18-9)6-3-1-2-4-8(6)22-11(15,16)17/h1-4,21H,5H2.
What are the key properties of [3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol?
[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol has a molecular weight of 327.18 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)triazol-4-yl]methanol is sourced from PubChem (CID 87118079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).