[(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate

C12H19F3O2 — CID 173279560

IUPAC[(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate
SMILESC=CCC(CCCC[C@@H](C)OC=O)C(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-3-6-11(12(13,14)15)8-5-4-7-10(2)17-9-16/h3,9-11H,1,4-8H2,2H3/t10-,11?/m1/s1
InChIKeyDRLMHSOZWVLVLE-NFJWQWPMSA-N
MW252.28 g/mol
LogP3.86
Rot. Bonds9

About [(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate

[(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate (PubChem CID 173279560) has the molecular formula C12H19F3O2 and a molecular weight of 252.28 g/mol. Its IUPAC name is [(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate.

Molecular Properties

Compound Name[(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate
PubChem CID173279560
Molecular FormulaC12H19F3O2
Molecular Weight252.28 g/mol
Exact Mass252.13
IUPAC Name[(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate
SMILESC=CCC(CCCC[C@@H](C)OC=O)C(F)(F)F
InChIInChI=1S/C12H19F3O2/c1-3-6-11(12(13,14)15)8-5-4-7-10(2)17-9-16/h3,9-11H,1,4-8H2,2H3/t10-,11?/m1/s1
InChIKeyDRLMHSOZWVLVLE-NFJWQWPMSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 [(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate?
The IUPAC name of [(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate (CID 173279560) is [(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate.
What is the SMILES notation for [(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate?
The canonical SMILES for [(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate is C=CCC(CCCC[C@@H](C)OC=O)C(F)(F)F.
What is the InChIKey of [(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate?
The InChIKey is DRLMHSOZWVLVLE-NFJWQWPMSA-N. The full InChI is InChI=1S/C12H19F3O2/c1-3-6-11(12(13,14)15)8-5-4-7-10(2)17-9-16/h3,9-11H,1,4-8H2,2H3/t10-,11?/m1/s1.
What are the key properties of [(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate?
[(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate has a molecular weight of 252.28 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-7-(trifluoromethyl)dec-9-en-2-yl] formate is sourced from PubChem (CID 173279560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).