3-naphthalen-2-yl-3-(trifluoromethyl)diazirine

C12H7F3N2 — CID 118481904

IUPAC3-naphthalen-2-yl-3-(trifluoromethyl)diazirine
SMILESFC(F)(F)C1(c2ccc3ccccc3c2)N=N1
InChIInChI=1S/C12H7F3N2/c13-12(14,15)11(16-17-11)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyQZFGNFKSRQNSGK-UHFFFAOYSA-N
MW236.20 g/mol
LogP4.02
Rot. Bonds1

About 3-naphthalen-2-yl-3-(trifluoromethyl)diazirine

3-naphthalen-2-yl-3-(trifluoromethyl)diazirine (PubChem CID 118481904) has the molecular formula C12H7F3N2 and a molecular weight of 236.20 g/mol. Its IUPAC name is 3-naphthalen-2-yl-3-(trifluoromethyl)diazirine.

Molecular Properties

Compound Name3-naphthalen-2-yl-3-(trifluoromethyl)diazirine
PubChem CID118481904
Molecular FormulaC12H7F3N2
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name3-naphthalen-2-yl-3-(trifluoromethyl)diazirine
SMILESFC(F)(F)C1(c2ccc3ccccc3c2)N=N1
InChIInChI=1S/C12H7F3N2/c13-12(14,15)11(16-17-11)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyQZFGNFKSRQNSGK-UHFFFAOYSA-N
XLogP4.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-3-(trifluoromethyl)diazirine?
The IUPAC name of 3-naphthalen-2-yl-3-(trifluoromethyl)diazirine (CID 118481904) is 3-naphthalen-2-yl-3-(trifluoromethyl)diazirine.
What is the SMILES notation for 3-naphthalen-2-yl-3-(trifluoromethyl)diazirine?
The canonical SMILES for 3-naphthalen-2-yl-3-(trifluoromethyl)diazirine is FC(F)(F)C1(c2ccc3ccccc3c2)N=N1.
What is the InChIKey of 3-naphthalen-2-yl-3-(trifluoromethyl)diazirine?
The InChIKey is QZFGNFKSRQNSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2/c13-12(14,15)11(16-17-11)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of 3-naphthalen-2-yl-3-(trifluoromethyl)diazirine?
3-naphthalen-2-yl-3-(trifluoromethyl)diazirine has a molecular weight of 236.20 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-3-(trifluoromethyl)diazirine is sourced from PubChem (CID 118481904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).