(2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine

C10H17F3N2 — CID 155453758

IUPAC(2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine
SMILESCC1CCCCN/C(CC(F)(F)F)=C\N1
InChIInChI=1S/C10H17F3N2/c1-8-4-2-3-5-14-9(7-15-8)6-10(11,12)13/h7-8,14-15H,2-6H2,1H3/b9-7-
InChIKeyFVZJNHRKWYJBLJ-CLFYSBASSA-N
MW222.25 g/mol
LogP2.53
Rot. Bonds1

About (2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine

(2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine (PubChem CID 155453758) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine.

Molecular Properties

Compound Name(2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine
PubChem CID155453758
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name(2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine
SMILESCC1CCCCN/C(CC(F)(F)F)=C\N1
InChIInChI=1S/C10H17F3N2/c1-8-4-2-3-5-14-9(7-15-8)6-10(11,12)13/h7-8,14-15H,2-6H2,1H3/b9-7-
InChIKeyFVZJNHRKWYJBLJ-CLFYSBASSA-N
XLogP2.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine?
The IUPAC name of (2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine (CID 155453758) is (2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine.
What is the SMILES notation for (2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine?
The canonical SMILES for (2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine is CC1CCCCN/C(CC(F)(F)F)=C\N1.
What is the InChIKey of (2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine?
The InChIKey is FVZJNHRKWYJBLJ-CLFYSBASSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-8-4-2-3-5-14-9(7-15-8)6-10(11,12)13/h7-8,14-15H,2-6H2,1H3/b9-7-.
What are the key properties of (2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine?
(2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine has a molecular weight of 222.25 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine is sourced from PubChem (CID 155453758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).