[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine

C9H8F3N3 — CID 21069851

IUPAC[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine
SMILESNCc1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C9H8F3N3/c10-9(11,12)8(14-15-8)7-3-1-2-6(4-7)5-13/h1-4H,5,13H2
InChIKeyMDQXHBVWVLDNDI-UHFFFAOYSA-N
MW215.18 g/mol
LogP2.33
Rot. Bonds2

About [3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine

[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine (PubChem CID 21069851) has the molecular formula C9H8F3N3 and a molecular weight of 215.18 g/mol. Its IUPAC name is [3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine
PubChem CID21069851
Molecular FormulaC9H8F3N3
Molecular Weight215.18 g/mol
Exact Mass215.07
IUPAC Name[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine
SMILESNCc1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C9H8F3N3/c10-9(11,12)8(14-15-8)7-3-1-2-6(4-7)5-13/h1-4H,5,13H2
InChIKeyMDQXHBVWVLDNDI-UHFFFAOYSA-N
XLogP2.33
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine?
The IUPAC name of [3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine (CID 21069851) is [3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine.
What is the SMILES notation for [3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine?
The canonical SMILES for [3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine is NCc1cccc(C2(C(F)(F)F)N=N2)c1.
What is the InChIKey of [3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine?
The InChIKey is MDQXHBVWVLDNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3/c10-9(11,12)8(14-15-8)7-3-1-2-6(4-7)5-13/h1-4H,5,13H2.
What are the key properties of [3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine?
[3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine has a molecular weight of 215.18 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine is sourced from PubChem (CID 21069851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).