5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane

C12H22F4O2 — CID 155235983

IUPAC5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane
SMILESCCCOC(F)(F)CCCCOCCC(C)(F)F
InChIInChI=1S/C12H22F4O2/c1-3-8-18-12(15,16)6-4-5-9-17-10-7-11(2,13)14/h3-10H2,1-2H3
InChIKeyXWVBFZOWMUCDHC-UHFFFAOYSA-N
MW274.30 g/mol
LogP4.24
Rot. Bonds11

About 5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane

5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane (PubChem CID 155235983) has the molecular formula C12H22F4O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane.

Molecular Properties

Compound Name5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane
PubChem CID155235983
Molecular FormulaC12H22F4O2
Molecular Weight274.30 g/mol
Exact Mass274.16
IUPAC Name5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane
SMILESCCCOC(F)(F)CCCCOCCC(C)(F)F
InChIInChI=1S/C12H22F4O2/c1-3-8-18-12(15,16)6-4-5-9-17-10-7-11(2,13)14/h3-10H2,1-2H3
InChIKeyXWVBFZOWMUCDHC-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane?
The IUPAC name of 5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane (CID 155235983) is 5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane.
What is the SMILES notation for 5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane?
The canonical SMILES for 5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane is CCCOC(F)(F)CCCCOCCC(C)(F)F.
What is the InChIKey of 5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane?
The InChIKey is XWVBFZOWMUCDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F4O2/c1-3-8-18-12(15,16)6-4-5-9-17-10-7-11(2,13)14/h3-10H2,1-2H3.
What are the key properties of 5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane?
5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane has a molecular weight of 274.30 g/mol, XLogP of 4.24, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluorobutoxy)-1,1-difluoro-1-propoxypentane is sourced from PubChem (CID 155235983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).