[4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol

C10H8F3NO — CID 102162362

IUPAC[4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol
SMILESOCc1ccc(C2(C(F)(F)F)C=N2)cc1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)9(6-14-9)8-3-1-7(5-15)2-4-8/h1-4,6,15H,5H2
InChIKeyNVAFJOTTZIXAAI-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.02
Rot. Bonds2

About [4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol

[4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol (PubChem CID 102162362) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is [4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol
PubChem CID102162362
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name[4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol
SMILESOCc1ccc(C2(C(F)(F)F)C=N2)cc1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)9(6-14-9)8-3-1-7(5-15)2-4-8/h1-4,6,15H,5H2
InChIKeyNVAFJOTTZIXAAI-UHFFFAOYSA-N
XLogP2.02
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol?
The IUPAC name of [4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol (CID 102162362) is [4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol.
What is the SMILES notation for [4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol?
The canonical SMILES for [4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol is OCc1ccc(C2(C(F)(F)F)C=N2)cc1.
What is the InChIKey of [4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol?
The InChIKey is NVAFJOTTZIXAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)9(6-14-9)8-3-1-7(5-15)2-4-8/h1-4,6,15H,5H2.
What are the key properties of [4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol?
[4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol has a molecular weight of 215.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(trifluoromethyl)azirin-2-yl]phenyl]methanol is sourced from PubChem (CID 102162362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).