8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane

C18H36F2O — CID 58275576

IUPAC8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane
SMILESCCC(CC)(CCCCC(F)(F)C(C)(C)C)COC(C)C
InChIInChI=1S/C18H36F2O/c1-8-17(9-2,14-21-15(3)4)12-10-11-13-18(19,20)16(5,6)7/h15H,8-14H2,1-7H3
InChIKeyQKFRIIRBOWJRRT-UHFFFAOYSA-N
MW306.48 g/mol
LogP6.46
Rot. Bonds10

About 8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane

8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane (PubChem CID 58275576) has the molecular formula C18H36F2O and a molecular weight of 306.48 g/mol. Its IUPAC name is 8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane.

Molecular Properties

Compound Name8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane
PubChem CID58275576
Molecular FormulaC18H36F2O
Molecular Weight306.48 g/mol
Exact Mass306.27
IUPAC Name8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane
SMILESCCC(CC)(CCCCC(F)(F)C(C)(C)C)COC(C)C
InChIInChI=1S/C18H36F2O/c1-8-17(9-2,14-21-15(3)4)12-10-11-13-18(19,20)16(5,6)7/h15H,8-14H2,1-7H3
InChIKeyQKFRIIRBOWJRRT-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.48
LogP ≤ 56.46
H-Bond Donors ≤ 50
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 8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane?
The IUPAC name of 8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane (CID 58275576) is 8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane.
What is the SMILES notation for 8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane?
The canonical SMILES for 8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane is CCC(CC)(CCCCC(F)(F)C(C)(C)C)COC(C)C.
What is the InChIKey of 8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane?
The InChIKey is QKFRIIRBOWJRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36F2O/c1-8-17(9-2,14-21-15(3)4)12-10-11-13-18(19,20)16(5,6)7/h15H,8-14H2,1-7H3.
What are the key properties of 8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane?
8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane has a molecular weight of 306.48 g/mol, XLogP of 6.46, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane is sourced from PubChem (CID 58275576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).