2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol

C10H9F3N2O — CID 14954191

IUPAC2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol
SMILESOCCc1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)9(14-15-9)8-3-1-7(2-4-8)5-6-16/h1-4,16H,5-6H2
InChIKeyRADRDKCUPVSSFN-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.40
Rot. Bonds3

About 2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol

2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol (PubChem CID 14954191) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol
PubChem CID14954191
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol
SMILESOCCc1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C10H9F3N2O/c11-10(12,13)9(14-15-9)8-3-1-7(2-4-8)5-6-16/h1-4,16H,5-6H2
InChIKeyRADRDKCUPVSSFN-UHFFFAOYSA-N
XLogP2.40
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol (CID 14954191) is 2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol is OCCc1ccc(C2(C(F)(F)F)N=N2)cc1.
What is the InChIKey of 2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol?
The InChIKey is RADRDKCUPVSSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c11-10(12,13)9(14-15-9)8-3-1-7(2-4-8)5-6-16/h1-4,16H,5-6H2.
What are the key properties of 2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol?
2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol has a molecular weight of 230.19 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethanol is sourced from PubChem (CID 14954191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).