2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene

C14H26F2O — CID 76738455

IUPAC2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene
SMILESCC(C)OCC(F)(F)C=CCCCC(C)(C)C
InChIInChI=1S/C14H26F2O/c1-12(2)17-11-14(15,16)10-8-6-7-9-13(3,4)5/h8,10,12H,6-7,9,11H2,1-5H3
InChIKeyHWBGDLWVBVZKOJ-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.82
Rot. Bonds7

About 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene

2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene (PubChem CID 76738455) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene.

Molecular Properties

Compound Name2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene
PubChem CID76738455
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene
SMILESCC(C)OCC(F)(F)C=CCCCC(C)(C)C
InChIInChI=1S/C14H26F2O/c1-12(2)17-11-14(15,16)10-8-6-7-9-13(3,4)5/h8,10,12H,6-7,9,11H2,1-5H3
InChIKeyHWBGDLWVBVZKOJ-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.82
H-Bond Donors ≤ 50
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 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene?
The IUPAC name of 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene (CID 76738455) is 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene.
What is the SMILES notation for 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene?
The canonical SMILES for 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene is CC(C)OCC(F)(F)C=CCCCC(C)(C)C.
What is the InChIKey of 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene?
The InChIKey is HWBGDLWVBVZKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O/c1-12(2)17-11-14(15,16)10-8-6-7-9-13(3,4)5/h8,10,12H,6-7,9,11H2,1-5H3.
What are the key properties of 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene?
2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene has a molecular weight of 248.36 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-8,8-dimethyl-1-propan-2-yloxynon-3-ene is sourced from PubChem (CID 76738455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).