(2R)-1,1,1-trifluoroundecan-2-ol

C11H21F3O — CID 2779105

IUPAC(2R)-1,1,1-trifluoroundecan-2-ol
SMILESCCCCCCCCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C11H21F3O/c1-2-3-4-5-6-7-8-9-10(15)11(12,13)14/h10,15H,2-9H2,1H3/t10-/m1/s1
InChIKeyFBHJYJKWINPBSZ-SNVBAGLBSA-N
MW226.28 g/mol
LogP4.05
Rot. Bonds8

About (2R)-1,1,1-trifluoroundecan-2-ol

(2R)-1,1,1-trifluoroundecan-2-ol (PubChem CID 2779105) has the molecular formula C11H21F3O and a molecular weight of 226.28 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoroundecan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoroundecan-2-ol
PubChem CID2779105
Molecular FormulaC11H21F3O
Molecular Weight226.28 g/mol
Exact Mass226.15
IUPAC Name(2R)-1,1,1-trifluoroundecan-2-ol
SMILESCCCCCCCCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C11H21F3O/c1-2-3-4-5-6-7-8-9-10(15)11(12,13)14/h10,15H,2-9H2,1H3/t10-/m1/s1
InChIKeyFBHJYJKWINPBSZ-SNVBAGLBSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 54.05
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

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15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357
8-ethoxy-1,1,1-trifluorooctan-2-ol
CID 19365294
(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol
CID 10198260
10-ethoxy-1,1,1-trifluorodecan-2-ol
CID 86189496
2-methylheptadecane-2,3-diol
CID 90439823
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CID 90439854
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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoroundecan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoroundecan-2-ol (CID 2779105) is (2R)-1,1,1-trifluoroundecan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoroundecan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoroundecan-2-ol is CCCCCCCCC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoroundecan-2-ol?
The InChIKey is FBHJYJKWINPBSZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21F3O/c1-2-3-4-5-6-7-8-9-10(15)11(12,13)14/h10,15H,2-9H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoroundecan-2-ol?
(2R)-1,1,1-trifluoroundecan-2-ol has a molecular weight of 226.28 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoroundecan-2-ol is sourced from PubChem (CID 2779105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).