actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide

C9H7AcF3N- — CID 21343677

IUPACactinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide
SMILESC=C([NH-])c1ccc(C(F)(F)F)cc1.[Ac]
InChIInChI=1S/C9H7F3N.Ac/c1-6(13)7-2-4-8(5-3-7)9(10,11)12;/h2-5,13H,1H2;/q-1;
InChIKeyRVJGOLHWOZQUPY-UHFFFAOYSA-N
MW413.16 g/mol
LogP3.73
Rot. Bonds1

About actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide

actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide (PubChem CID 21343677) has the molecular formula C9H7AcF3N- and a molecular weight of 413.16 g/mol. Its IUPAC name is actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide.

Molecular Properties

Compound Nameactinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide
PubChem CID21343677
Molecular FormulaC9H7AcF3N-
Molecular Weight413.16 g/mol
Exact Mass413.08
IUPAC Nameactinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide
SMILESC=C([NH-])c1ccc(C(F)(F)F)cc1.[Ac]
InChIInChI=1S/C9H7F3N.Ac/c1-6(13)7-2-4-8(5-3-7)9(10,11)12;/h2-5,13H,1H2;/q-1;
InChIKeyRVJGOLHWOZQUPY-UHFFFAOYSA-N
XLogP3.73
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.16
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 6922
2,5-Bis(trifluoromethyl)aniline
CID 719818
4-(Trifluoromethyl)thiobenzamide
CID 2734823
4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)benzylamine
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4-(Trifluoromethyl)benzylamine Hydrochloride
CID 16090351
alpha-(Trifluoromethyl)benzenemethanamine
CID 89166
Aminocinnamonitrile
CID 1711920
3-Amino-3-(3-fluorophenyl)acrylonitrile
CID 12540166
(1S)-1-[4-(Trifluoromethyl)phenyl]ethylamine
CID 2779052

Frequently Asked Questions

What is the IUPAC name of actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide?
The IUPAC name of actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide (CID 21343677) is actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide.
What is the SMILES notation for actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide?
The canonical SMILES for actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide is C=C([NH-])c1ccc(C(F)(F)F)cc1.[Ac].
What is the InChIKey of actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide?
The InChIKey is RVJGOLHWOZQUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N.Ac/c1-6(13)7-2-4-8(5-3-7)9(10,11)12;/h2-5,13H,1H2;/q-1;.
What are the key properties of actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide?
actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide has a molecular weight of 413.16 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;1-[4-(trifluoromethyl)phenyl]ethenylazanide is sourced from PubChem (CID 21343677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).