actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide

C10H9AcF3N- — CID 21343674

IUPACactinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide
SMILESC/C=C(\[NH-])c1ccc(C(F)(F)F)cc1.[Ac]
InChIInChI=1S/C10H9F3N.Ac/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13;/h2-6,14H,1H3;/q-1;/b9-2-;
InChIKeyRQWCFZRLLDQTBD-LABXZRATSA-N
MW427.18 g/mol
LogP4.12
Rot. Bonds1

About actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide

actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide (PubChem CID 21343674) has the molecular formula C10H9AcF3N- and a molecular weight of 427.18 g/mol. Its IUPAC name is actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide.

Molecular Properties

Compound Nameactinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide
PubChem CID21343674
Molecular FormulaC10H9AcF3N-
Molecular Weight427.18 g/mol
Exact Mass427.10
IUPAC Nameactinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide
SMILESC/C=C(\[NH-])c1ccc(C(F)(F)F)cc1.[Ac]
InChIInChI=1S/C10H9F3N.Ac/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13;/h2-6,14H,1H3;/q-1;/b9-2-;
InChIKeyRQWCFZRLLDQTBD-LABXZRATSA-N
XLogP4.12
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.18
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-Methylbenzylamine
CID 66035
4-(Trifluoromethyl)benzylamine
CID 76804
Benzenemethanamine, N-methyl-4-(trifluoromethyl)-
CID 485420
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
CID 16211122
Benzeneethanamine, alpha,alpha-dimethyl-4-(trifluoromethyl)-, hydrochloride
CID 120993
3-Fluoro-4-methylbenzylamine
CID 2774597
4-(Trifluoromethyl)benzylamine Hydrochloride
CID 16090351
alpha-(Trifluoromethyl)benzenemethanamine
CID 89166
2,2,2-Trifluoro-1-phenylethan-1-amine--hydrogen chloride (1/1)
CID 12622930
Aminocinnamonitrile
CID 1711920
Methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 6932642

Frequently Asked Questions

What is the IUPAC name of actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide?
The IUPAC name of actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide (CID 21343674) is actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide.
What is the SMILES notation for actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide?
The canonical SMILES for actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide is C/C=C(\[NH-])c1ccc(C(F)(F)F)cc1.[Ac].
What is the InChIKey of actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide?
The InChIKey is RQWCFZRLLDQTBD-LABXZRATSA-N. The full InChI is InChI=1S/C10H9F3N.Ac/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13;/h2-6,14H,1H3;/q-1;/b9-2-;.
What are the key properties of actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide?
actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide has a molecular weight of 427.18 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;[(Z)-1-[4-(trifluoromethyl)phenyl]prop-1-enyl]azanide is sourced from PubChem (CID 21343674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).