(E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine

C7H11F3N2 — CID 176692296

IUPAC(E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine
SMILESCC(C)/N=C/C(=C\N)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(2)12-4-6(3-11)7(8,9)10/h3-5H,11H2,1-2H3/b6-3+,12-4+
InChIKeyFBVNMBWPYKHQJC-UCCFVCRGSA-N
MW180.17 g/mol
LogP1.87
Rot. Bonds2

About (E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine

(E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine (PubChem CID 176692296) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is (E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine
PubChem CID176692296
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name(E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine
SMILESCC(C)/N=C/C(=C\N)C(F)(F)F
InChIInChI=1S/C7H11F3N2/c1-5(2)12-4-6(3-11)7(8,9)10/h3-5H,11H2,1-2H3/b6-3+,12-4+
InChIKeyFBVNMBWPYKHQJC-UCCFVCRGSA-N
XLogP1.87
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3,3,3-trifluoro-2-(methyliminomethyl)prop-1-en-1-amine
CID 138628577
(E)-4,4,4-trifluoro-3-propan-2-yliminobut-1-ene-1,2-diamine
CID 169213599
3-(1,1,1-trifluoropropan-2-ylimino)prop-1-ene-1,2-diamine
CID 162616321
(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine
CID 156819096
N-(3-amino-2-bromoprop-2-enylidene)-2,2,2-trifluoroacetamide
CID 162566915
1,1,1-trifluoro-N-propan-2-ylpropan-2-imine
CID 2759496
(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
CID 142285293
(E)-4,4,4-trifluoro-3-(1-methoxypropan-2-ylimino)but-1-ene-1,2-diamine
CID 169213418
2-(dimethylamino)-7-methyl-4-(trifluoromethyl)octa-2,4-dienamide
CID 123467636
bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);nickel
CID 174052217
bis(N,N'-di(propan-2-yl)ethane-1,2-diimine);titanium
CID 159257607
2-chloro-2-fluoro-3-methylbutane
CID 88897527

Frequently Asked Questions

What is the IUPAC name of (E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine?
The IUPAC name of (E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine (CID 176692296) is (E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine.
What is the SMILES notation for (E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine?
The canonical SMILES for (E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine is CC(C)/N=C/C(=C\N)C(F)(F)F.
What is the InChIKey of (E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine?
The InChIKey is FBVNMBWPYKHQJC-UCCFVCRGSA-N. The full InChI is InChI=1S/C7H11F3N2/c1-5(2)12-4-6(3-11)7(8,9)10/h3-5H,11H2,1-2H3/b6-3+,12-4+.
What are the key properties of (E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine?
(E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine has a molecular weight of 180.17 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine is sourced from PubChem (CID 176692296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).