2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile

C11H12F6N4 — CID 89173871

IUPAC2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
SMILESCN/C(=C\NCC(C#N)(C#N)CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6N4/c1-20-8(11(15,16)17)4-21-7-9(5-18,6-19)2-3-10(12,13)14/h4,20-21H,2-3,7H2,1H3/b8-4-
InChIKeyROBPAGNZSOZGAA-YWEYNIOJSA-N
MW314.23 g/mol
LogP2.58
Rot. Bonds6

About 2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile

2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile (PubChem CID 89173871) has the molecular formula C11H12F6N4 and a molecular weight of 314.23 g/mol. Its IUPAC name is 2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile.

Molecular Properties

Compound Name2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
PubChem CID89173871
Molecular FormulaC11H12F6N4
Molecular Weight314.23 g/mol
Exact Mass314.10
IUPAC Name2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
SMILESCN/C(=C\NCC(C#N)(C#N)CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6N4/c1-20-8(11(15,16)17)4-21-7-9(5-18,6-19)2-3-10(12,13)14/h4,20-21H,2-3,7H2,1H3/b8-4-
InChIKeyROBPAGNZSOZGAA-YWEYNIOJSA-N
XLogP2.58
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile with MolForge

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Related Compounds

ethyl 3,3-dicyano-6,6,6-trifluorohexanoate
CID 58586383
2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 87395428
2-(3-oxobutyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 58879046
2-(2-methoxyiminopropyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 71367842
2-(4-chlorobutyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 87395514
2-[(2Z)-2-(2,2-difluoropropoxyimino)but-3-enyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 143079590
2-[3,4,4,5,5,6,6,7,7,8,8,9,9,9-tetradecafluoro-3-(trifluoromethyl)nonyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 174505409
cyclohexyl 3,3-dicyano-6,6,6-trifluorohexanoate
CID 58586410
4,4,4-trifluoro-N-methyl-3-(methylamino)but-2-enamide
CID 73028050
(2Z,4Z)-1,1,1-trifluoro-N-methylhexa-2,4-dien-2-amine
CID 145332953
2-[(3-formylpyrazol-1-yl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 86612644
2-(pyrimidin-5-ylmethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 87697058

Frequently Asked Questions

What is the IUPAC name of 2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile?
The IUPAC name of 2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile (CID 89173871) is 2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile.
What is the SMILES notation for 2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile?
The canonical SMILES for 2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile is CN/C(=C\NCC(C#N)(C#N)CCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile?
The InChIKey is ROBPAGNZSOZGAA-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H12F6N4/c1-20-8(11(15,16)17)4-21-7-9(5-18,6-19)2-3-10(12,13)14/h4,20-21H,2-3,7H2,1H3/b8-4-.
What are the key properties of 2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile?
2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile has a molecular weight of 314.23 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile is sourced from PubChem (CID 89173871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).