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

C7H11F3N2 — CID 162614799

IUPAC3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine
SMILESCC(C)/N=C/C(=CN)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-JVPDTFEUSA-N
MW180.17 g/mol
LogP1.87
Rot. Bonds2

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

3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine (PubChem CID 162614799) has the molecular formula C7H11F3N2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine
PubChem CID162614799
Molecular FormulaC7H11F3N2
Molecular Weight180.17 g/mol
Exact Mass180.09
IUPAC Name3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine
SMILESCC(C)/N=C/C(=CN)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-JVPDTFEUSA-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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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine (CID 162614799) is 3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine is CC(C)/N=C/C(=CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine?
The InChIKey is FBVNMBWPYKHQJC-JVPDTFEUSA-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 3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine?
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 3,3,3-trifluoro-2-(propan-2-yliminomethyl)prop-1-en-1-amine is sourced from PubChem (CID 162614799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).