7-ethyl-1,1,1-trifluorononan-2-ol

C11H21F3O — CID 19598550

IUPAC7-ethyl-1,1,1-trifluorononan-2-ol
SMILESCCC(CC)CCCCC(O)C(F)(F)F
InChIInChI=1S/C11H21F3O/c1-3-9(4-2)7-5-6-8-10(15)11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyQFWROJGSCVMAJI-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.91
Rot. Bonds7

About 7-ethyl-1,1,1-trifluorononan-2-ol

7-ethyl-1,1,1-trifluorononan-2-ol (PubChem CID 19598550) has the molecular formula C11H21F3O and a molecular weight of 226.28 g/mol. Its IUPAC name is 7-ethyl-1,1,1-trifluorononan-2-ol.

Molecular Properties

Compound Name7-ethyl-1,1,1-trifluorononan-2-ol
PubChem CID19598550
Molecular FormulaC11H21F3O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name7-ethyl-1,1,1-trifluorononan-2-ol
SMILESCCC(CC)CCCCC(O)C(F)(F)F
InChIInChI=1S/C11H21F3O/c1-3-9(4-2)7-5-6-8-10(15)11(12,13)14/h9-10,15H,3-8H2,1-2H3
InChIKeyQFWROJGSCVMAJI-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,1,1-trifluorononan-2-ol?
The IUPAC name of 7-ethyl-1,1,1-trifluorononan-2-ol (CID 19598550) is 7-ethyl-1,1,1-trifluorononan-2-ol.
What is the SMILES notation for 7-ethyl-1,1,1-trifluorononan-2-ol?
The canonical SMILES for 7-ethyl-1,1,1-trifluorononan-2-ol is CCC(CC)CCCCC(O)C(F)(F)F.
What is the InChIKey of 7-ethyl-1,1,1-trifluorononan-2-ol?
The InChIKey is QFWROJGSCVMAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O/c1-3-9(4-2)7-5-6-8-10(15)11(12,13)14/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 7-ethyl-1,1,1-trifluorononan-2-ol?
7-ethyl-1,1,1-trifluorononan-2-ol has a molecular weight of 226.28 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,1,1-trifluorononan-2-ol is sourced from PubChem (CID 19598550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).