3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine

C8H4F4N2 — CID 133054743

IUPAC3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine
SMILESFc1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C8H4F4N2/c9-6-3-1-2-5(4-6)7(13-14-7)8(10,11)12/h1-4H
InChIKeyTVYGMNRBTZLUDN-UHFFFAOYSA-N
MW204.13 g/mol
LogP3.01
Rot. Bonds1

About 3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine

3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine (PubChem CID 133054743) has the molecular formula C8H4F4N2 and a molecular weight of 204.13 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine
PubChem CID133054743
Molecular FormulaC8H4F4N2
Molecular Weight204.13 g/mol
Exact Mass204.03
IUPAC Name3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine
SMILESFc1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C8H4F4N2/c9-6-3-1-2-5(4-6)7(13-14-7)8(10,11)12/h1-4H
InChIKeyTVYGMNRBTZLUDN-UHFFFAOYSA-N
XLogP3.01
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.13
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine?
The IUPAC name of 3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine (CID 133054743) is 3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine.
What is the SMILES notation for 3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine?
The canonical SMILES for 3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine is Fc1cccc(C2(C(F)(F)F)N=N2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine?
The InChIKey is TVYGMNRBTZLUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2/c9-6-3-1-2-5(4-6)7(13-14-7)8(10,11)12/h1-4H.
What are the key properties of 3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine?
3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine has a molecular weight of 204.13 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine is sourced from PubChem (CID 133054743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).