2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol

C7H13F3N2O — CID 154953448

IUPAC2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol
SMILESCN/C(=C\NC(C)CO)C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-5(4-13)12-3-6(11-2)7(8,9)10/h3,5,11-13H,4H2,1-2H3/b6-3-
InChIKeyCYLMOHCDNAGTSU-UTCJRWHESA-N
MW198.19 g/mol
LogP0.58
Rot. Bonds4

About 2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol

2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol (PubChem CID 154953448) has the molecular formula C7H13F3N2O and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol
PubChem CID154953448
Molecular FormulaC7H13F3N2O
Molecular Weight198.19 g/mol
Exact Mass198.10
IUPAC Name2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol
SMILESCN/C(=C\NC(C)CO)C(F)(F)F
InChIInChI=1S/C7H13F3N2O/c1-5(4-13)12-3-6(11-2)7(8,9)10/h3,5,11-13H,4H2,1-2H3/b6-3-
InChIKeyCYLMOHCDNAGTSU-UTCJRWHESA-N
XLogP0.58
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol?
The IUPAC name of 2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol (CID 154953448) is 2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol?
The canonical SMILES for 2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol is CN/C(=C\NC(C)CO)C(F)(F)F.
What is the InChIKey of 2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol?
The InChIKey is CYLMOHCDNAGTSU-UTCJRWHESA-N. The full InChI is InChI=1S/C7H13F3N2O/c1-5(4-13)12-3-6(11-2)7(8,9)10/h3,5,11-13H,4H2,1-2H3/b6-3-.
What are the key properties of 2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol?
2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol has a molecular weight of 198.19 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol is sourced from PubChem (CID 154953448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).