[2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol

C15H19F3N2O — CID 162649192

IUPAC[2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol
SMILESCC(C)c1cc(C2(C(F)(F)F)N=N2)cc(C(C)C)c1CO
InChIInChI=1S/C15H19F3N2O/c1-8(2)11-5-10(14(19-20-14)15(16,17)18)6-12(9(3)4)13(11)7-21/h5-6,8-9,21H,7H2,1-4H3
InChIKeyFGQXQCSYLCZOIU-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.61
Rot. Bonds4

About [2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol

[2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol (PubChem CID 162649192) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol.

Molecular Properties

Compound Name[2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol
PubChem CID162649192
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name[2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol
SMILESCC(C)c1cc(C2(C(F)(F)F)N=N2)cc(C(C)C)c1CO
InChIInChI=1S/C15H19F3N2O/c1-8(2)11-5-10(14(19-20-14)15(16,17)18)6-12(9(3)4)13(11)7-21/h5-6,8-9,21H,7H2,1-4H3
InChIKeyFGQXQCSYLCZOIU-UHFFFAOYSA-N
XLogP4.61
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol?
The IUPAC name of [2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol (CID 162649192) is [2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol.
What is the SMILES notation for [2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol?
The canonical SMILES for [2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol is CC(C)c1cc(C2(C(F)(F)F)N=N2)cc(C(C)C)c1CO.
What is the InChIKey of [2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol?
The InChIKey is FGQXQCSYLCZOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-8(2)11-5-10(14(19-20-14)15(16,17)18)6-12(9(3)4)13(11)7-21/h5-6,8-9,21H,7H2,1-4H3.
What are the key properties of [2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol?
[2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol has a molecular weight of 300.32 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-di(propan-2-yl)-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanol is sourced from PubChem (CID 162649192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).