amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol

C8H13F3N2O — CID 143596283

IUPACamino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol
SMILESC=CC(C/C=C/C(F)(F)F)NC(N)O
InChIInChI=1S/C8H13F3N2O/c1-2-6(13-7(12)14)4-3-5-8(9,10)11/h2-3,5-7,13-14H,1,4,12H2/b5-3+
InChIKeyAEJCZRQCVAYKPV-HWKANZROSA-N
MW210.20 g/mol
LogP0.87
Rot. Bonds5

About amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol

amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol (PubChem CID 143596283) has the molecular formula C8H13F3N2O and a molecular weight of 210.20 g/mol. Its IUPAC name is amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol.

Molecular Properties

Compound Nameamino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol
PubChem CID143596283
Molecular FormulaC8H13F3N2O
Molecular Weight210.20 g/mol
Exact Mass210.10
IUPAC Nameamino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol
SMILESC=CC(C/C=C/C(F)(F)F)NC(N)O
InChIInChI=1S/C8H13F3N2O/c1-2-6(13-7(12)14)4-3-5-8(9,10)11/h2-3,5-7,13-14H,1,4,12H2/b5-3+
InChIKeyAEJCZRQCVAYKPV-HWKANZROSA-N
XLogP0.87
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol?
The IUPAC name of amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol (CID 143596283) is amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol.
What is the SMILES notation for amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol?
The canonical SMILES for amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol is C=CC(C/C=C/C(F)(F)F)NC(N)O.
What is the InChIKey of amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol?
The InChIKey is AEJCZRQCVAYKPV-HWKANZROSA-N. The full InChI is InChI=1S/C8H13F3N2O/c1-2-6(13-7(12)14)4-3-5-8(9,10)11/h2-3,5-7,13-14H,1,4,12H2/b5-3+.
What are the key properties of amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol?
amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol has a molecular weight of 210.20 g/mol, XLogP of 0.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]amino]methanol is sourced from PubChem (CID 143596283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).