(2R)-7-ethyl-1,1,1-trifluorononan-2-ol

C11H21F3O — CID 18396356

IUPAC(2R)-7-ethyl-1,1,1-trifluorononan-2-ol
SMILESCCC(CC)CCCC[C@@H](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/t10-/m1/s1
InChIKeyQFWROJGSCVMAJI-SNVBAGLBSA-N
MW226.28 g/mol
LogP3.91
Rot. Bonds7

About (2R)-7-ethyl-1,1,1-trifluorononan-2-ol

(2R)-7-ethyl-1,1,1-trifluorononan-2-ol (PubChem CID 18396356) has the molecular formula C11H21F3O and a molecular weight of 226.28 g/mol. Its IUPAC name is (2R)-7-ethyl-1,1,1-trifluorononan-2-ol.

Molecular Properties

Compound Name(2R)-7-ethyl-1,1,1-trifluorononan-2-ol
PubChem CID18396356
Molecular FormulaC11H21F3O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name(2R)-7-ethyl-1,1,1-trifluorononan-2-ol
SMILESCCC(CC)CCCC[C@@H](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/t10-/m1/s1
InChIKeyQFWROJGSCVMAJI-SNVBAGLBSA-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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Related Compounds

3,7-Dimethyl-1-octanol
CID 7792
2-Butyl-1-octanol
CID 19800
2,6,8-Trimethyl-4-nonanol
CID 61056
2-Propyl-1-heptanol
CID 24847
7-Ethyl-2-methyl-4-undecanol
CID 97948
3-Octanol, 6-ethyl-
CID 140601
5-Ethyl-2-nonanol
CID 7634
2-Methyloctan-3-ol
CID 98464
3,9-Diethyl-6-tridecanol
CID 225882
1-Decanol, 2-ethyl-
CID 545566
2-Hexyl-1-octanol
CID 545551
6,10-Dimethyl-2-undecanol
CID 3016008

Frequently Asked Questions

What is the IUPAC name of (2R)-7-ethyl-1,1,1-trifluorononan-2-ol?
The IUPAC name of (2R)-7-ethyl-1,1,1-trifluorononan-2-ol (CID 18396356) is (2R)-7-ethyl-1,1,1-trifluorononan-2-ol.
What is the SMILES notation for (2R)-7-ethyl-1,1,1-trifluorononan-2-ol?
The canonical SMILES for (2R)-7-ethyl-1,1,1-trifluorononan-2-ol is CCC(CC)CCCC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-7-ethyl-1,1,1-trifluorononan-2-ol?
The InChIKey is QFWROJGSCVMAJI-SNVBAGLBSA-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/t10-/m1/s1.
What are the key properties of (2R)-7-ethyl-1,1,1-trifluorononan-2-ol?
(2R)-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 (2R)-7-ethyl-1,1,1-trifluorononan-2-ol is sourced from PubChem (CID 18396356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).