1,1,1-trifluoro-2-(methylideneamino)propan-2-amine

C4H7F3N2 — CID 88891205

IUPAC1,1,1-trifluoro-2-(methylideneamino)propan-2-amine
SMILESC=NC(C)(N)C(F)(F)F
InChIInChI=1S/C4H7F3N2/c1-3(8,9-2)4(5,6)7/h2,8H2,1H3
InChIKeyRMRJYKXGGFMSSI-UHFFFAOYSA-N
MW140.11 g/mol
LogP0.92
Rot. Bonds1

About 1,1,1-trifluoro-2-(methylideneamino)propan-2-amine

1,1,1-trifluoro-2-(methylideneamino)propan-2-amine (PubChem CID 88891205) has the molecular formula C4H7F3N2 and a molecular weight of 140.11 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(methylideneamino)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(methylideneamino)propan-2-amine
PubChem CID88891205
Molecular FormulaC4H7F3N2
Molecular Weight140.11 g/mol
Exact Mass140.06
IUPAC Name1,1,1-trifluoro-2-(methylideneamino)propan-2-amine
SMILESC=NC(C)(N)C(F)(F)F
InChIInChI=1S/C4H7F3N2/c1-3(8,9-2)4(5,6)7/h2,8H2,1H3
InChIKeyRMRJYKXGGFMSSI-UHFFFAOYSA-N
XLogP0.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.11
LogP ≤ 50.92
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 1,1,1-trifluoro-2-(methylideneamino)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-(methylideneamino)propan-2-amine (CID 88891205) is 1,1,1-trifluoro-2-(methylideneamino)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(methylideneamino)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(methylideneamino)propan-2-amine is C=NC(C)(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(methylideneamino)propan-2-amine?
The InChIKey is RMRJYKXGGFMSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2/c1-3(8,9-2)4(5,6)7/h2,8H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(methylideneamino)propan-2-amine?
1,1,1-trifluoro-2-(methylideneamino)propan-2-amine has a molecular weight of 140.11 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(methylideneamino)propan-2-amine is sourced from PubChem (CID 88891205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).