ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide

C12H21F3N2 — CID 145136554

IUPACethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
SMILESC=CC.C=N/C(=N\C=C(C)C)C(F)(F)F.CC
InChIInChI=1S/C7H9F3N2.C3H6.C2H6/c1-5(2)4-12-6(11-3)7(8,9)10;1-3-2;1-2/h4H,3H2,1-2H3;3H,1H2,2H3;1-2H3/b12-6-;;
InChIKeyZCXMIMAOUFKCMP-AXAVVADUSA-N
MW250.31 g/mol
LogP4.79
Rot. Bonds1

About ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide

ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide (PubChem CID 145136554) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide.

Molecular Properties

Compound Nameethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
PubChem CID145136554
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Nameethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
SMILESC=CC.C=N/C(=N\C=C(C)C)C(F)(F)F.CC
InChIInChI=1S/C7H9F3N2.C3H6.C2H6/c1-5(2)4-12-6(11-3)7(8,9)10;1-3-2;1-2/h4H,3H2,1-2H3;3H,1H2,2H3;1-2H3/b12-6-;;
InChIKeyZCXMIMAOUFKCMP-AXAVVADUSA-N
XLogP4.79
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
CID 146550071
methane;N-methylmethanimine;propan-2-one;prop-1-ene
CID 159454527
ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506
N-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468
N-[(E)-but-2-en-2-yl]methanimine;ethane
CID 145473397
1,1,1,2,2-pentafluoro-2-iodoethane;prop-1-ene
CID 123277192
3,3-dimethyl-N-(2-methylprop-1-enyl)butan-2-imine
CID 174243879
ethane;bis(prop-1-ene)
CID 91426438
ethane;tetrakis(prop-1-ene)
CID 90918926
(Z)-5,5,5-trifluoro-4-(methylideneamino)pent-3-en-2-one
CID 90918047
2,2-dimethyl-N-methylidene-N'-[(E)-2-phenylprop-1-enyl]propanimidamide
CID 126560090
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031

Frequently Asked Questions

What is the IUPAC name of ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The IUPAC name of ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide (CID 145136554) is ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide.
What is the SMILES notation for ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The canonical SMILES for ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide is C=CC.C=N/C(=N\C=C(C)C)C(F)(F)F.CC.
What is the InChIKey of ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
The InChIKey is ZCXMIMAOUFKCMP-AXAVVADUSA-N. The full InChI is InChI=1S/C7H9F3N2.C3H6.C2H6/c1-5(2)4-12-6(11-3)7(8,9)10;1-3-2;1-2/h4H,3H2,1-2H3;3H,1H2,2H3;1-2H3/b12-6-;;.
What are the key properties of ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide?
ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide has a molecular weight of 250.31 g/mol, XLogP of 4.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide is sourced from PubChem (CID 145136554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).