3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol

C11H11F3N2O — CID 23658815

IUPAC3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol
SMILESOCCCc1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)10(15-16-10)9-5-3-8(4-6-9)2-1-7-17/h3-6,17H,1-2,7H2
InChIKeyLWIDCJMFXLFHER-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.79
Rot. Bonds4

About 3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol

3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol (PubChem CID 23658815) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol
PubChem CID23658815
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol
SMILESOCCCc1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)10(15-16-10)9-5-3-8(4-6-9)2-1-7-17/h3-6,17H,1-2,7H2
InChIKeyLWIDCJMFXLFHER-UHFFFAOYSA-N
XLogP2.79
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol (CID 23658815) is 3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol is OCCCc1ccc(C2(C(F)(F)F)N=N2)cc1.
What is the InChIKey of 3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol?
The InChIKey is LWIDCJMFXLFHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)10(15-16-10)9-5-3-8(4-6-9)2-1-7-17/h3-6,17H,1-2,7H2.
What are the key properties of 3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol?
3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol has a molecular weight of 244.22 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]propan-1-ol is sourced from PubChem (CID 23658815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).