[5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol

C11H9F4N3O — CID 157046441

IUPAC[5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(C(F)(F)F)cc2F)c1CO
InChIInChI=1S/C11H9F4N3O/c1-18-9(5-19)10(16-17-18)7-3-2-6(4-8(7)12)11(13,14)15/h2-4,19H,5H2,1H3
InChIKeyTUPFPEQFAPQAFN-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.13
Rot. Bonds2

About [5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol

[5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol (PubChem CID 157046441) has the molecular formula C11H9F4N3O and a molecular weight of 275.21 g/mol. Its IUPAC name is [5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol.

Molecular Properties

Compound Name[5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol
PubChem CID157046441
Molecular FormulaC11H9F4N3O
Molecular Weight275.21 g/mol
Exact Mass275.07
IUPAC Name[5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol
SMILESCn1nnc(-c2ccc(C(F)(F)F)cc2F)c1CO
InChIInChI=1S/C11H9F4N3O/c1-18-9(5-19)10(16-17-18)7-3-2-6(4-8(7)12)11(13,14)15/h2-4,19H,5H2,1H3
InChIKeyTUPFPEQFAPQAFN-UHFFFAOYSA-N
XLogP2.13
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol?
The IUPAC name of [5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol (CID 157046441) is [5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol.
What is the SMILES notation for [5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol?
The canonical SMILES for [5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol is Cn1nnc(-c2ccc(C(F)(F)F)cc2F)c1CO.
What is the InChIKey of [5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol?
The InChIKey is TUPFPEQFAPQAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3O/c1-18-9(5-19)10(16-17-18)7-3-2-6(4-8(7)12)11(13,14)15/h2-4,19H,5H2,1H3.
What are the key properties of [5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol?
[5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol has a molecular weight of 275.21 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methyltriazol-4-yl]methanol is sourced from PubChem (CID 157046441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).