[[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol

C11H20F3NO — CID 144991210

IUPAC[[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol
SMILESC/C(=C/CCCC(C)CNCO)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-9(7-15-8-16)5-3-4-6-10(2)11(12,13)14/h6,9,15-16H,3-5,7-8H2,1-2H3/b10-6-
InChIKeySSCDMWKABFWVAL-POHAHGRESA-N
MW239.28 g/mol
LogP2.84
Rot. Bonds7

About [[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol

[[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol (PubChem CID 144991210) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is [[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol.

Molecular Properties

Compound Name[[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol
PubChem CID144991210
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name[[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol
SMILESC/C(=C/CCCC(C)CNCO)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-9(7-15-8-16)5-3-4-6-10(2)11(12,13)14/h6,9,15-16H,3-5,7-8H2,1-2H3/b10-6-
InChIKeySSCDMWKABFWVAL-POHAHGRESA-N
XLogP2.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol?
The IUPAC name of [[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol (CID 144991210) is [[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol.
What is the SMILES notation for [[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol?
The canonical SMILES for [[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol is C/C(=C/CCCC(C)CNCO)C(F)(F)F.
What is the InChIKey of [[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol?
The InChIKey is SSCDMWKABFWVAL-POHAHGRESA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(7-15-8-16)5-3-4-6-10(2)11(12,13)14/h6,9,15-16H,3-5,7-8H2,1-2H3/b10-6-.
What are the key properties of [[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol?
[[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol has a molecular weight of 239.28 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(Z)-8,8,8-trifluoro-2,7-dimethyloct-6-enyl]amino]methanol is sourced from PubChem (CID 144991210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).