3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol

C11H18F3NO — CID 91559581

IUPAC3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol
SMILESCC=CC(=CC)CCC(N)C(O)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-3-5-8(4-2)6-7-9(15)10(16)11(12,13)14/h3-5,9-10,16H,6-7,15H2,1-2H3
InChIKeyQDJNHHUHCBZQKN-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.54
Rot. Bonds5

About 3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol

3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol (PubChem CID 91559581) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol.

Molecular Properties

Compound Name3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol
PubChem CID91559581
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol
SMILESCC=CC(=CC)CCC(N)C(O)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-3-5-8(4-2)6-7-9(15)10(16)11(12,13)14/h3-5,9-10,16H,6-7,15H2,1-2H3
InChIKeyQDJNHHUHCBZQKN-UHFFFAOYSA-N
XLogP2.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol?
The IUPAC name of 3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol (CID 91559581) is 3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol.
What is the SMILES notation for 3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol?
The canonical SMILES for 3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol is CC=CC(=CC)CCC(N)C(O)C(F)(F)F.
What is the InChIKey of 3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol?
The InChIKey is QDJNHHUHCBZQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-3-5-8(4-2)6-7-9(15)10(16)11(12,13)14/h3-5,9-10,16H,6-7,15H2,1-2H3.
What are the key properties of 3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol?
3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol has a molecular weight of 237.26 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-ethylidene-1,1,1-trifluoronon-7-en-2-ol is sourced from PubChem (CID 91559581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).