(3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol

C12H21F3O — CID 134969182

IUPAC(3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol
SMILESC=C[C@H](CC(F)(F)F)[C@H](O)CCCCCC
InChIInChI=1S/C12H21F3O/c1-3-5-6-7-8-11(16)10(4-2)9-12(13,14)15/h4,10-11,16H,2-3,5-9H2,1H3/t10-,11-/m1/s1
InChIKeyLLABKQUQBISQCZ-GHMZBOCLSA-N
MW238.29 g/mol
LogP4.07
Rot. Bonds8

About (3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol

(3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol (PubChem CID 134969182) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is (3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol.

Molecular Properties

Compound Name(3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol
PubChem CID134969182
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name(3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol
SMILESC=C[C@H](CC(F)(F)F)[C@H](O)CCCCCC
InChIInChI=1S/C12H21F3O/c1-3-5-6-7-8-11(16)10(4-2)9-12(13,14)15/h4,10-11,16H,2-3,5-9H2,1H3/t10-,11-/m1/s1
InChIKeyLLABKQUQBISQCZ-GHMZBOCLSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol?
The IUPAC name of (3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol (CID 134969182) is (3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol.
What is the SMILES notation for (3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol?
The canonical SMILES for (3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol is C=C[C@H](CC(F)(F)F)[C@H](O)CCCCCC.
What is the InChIKey of (3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol?
The InChIKey is LLABKQUQBISQCZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H21F3O/c1-3-5-6-7-8-11(16)10(4-2)9-12(13,14)15/h4,10-11,16H,2-3,5-9H2,1H3/t10-,11-/m1/s1.
What are the key properties of (3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol?
(3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol has a molecular weight of 238.29 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-(2,2,2-trifluoroethyl)dec-1-en-4-ol is sourced from PubChem (CID 134969182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).