5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane

C14H23F7O3 — CID 59172659

IUPAC5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane
SMILESCCCOCC(F)(F)OCCC(C(F)(F)F)C(F)(F)COCCC
InChIInChI=1S/C14H23F7O3/c1-3-6-22-9-12(15,16)11(14(19,20)21)5-8-24-13(17,18)10-23-7-4-2/h11H,3-10H2,1-2H3
InChIKeyFWFZDSYPULUZKM-UHFFFAOYSA-N
MW372.32 g/mol
LogP4.65
Rot. Bonds13

About 5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane

5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane (PubChem CID 59172659) has the molecular formula C14H23F7O3 and a molecular weight of 372.32 g/mol. Its IUPAC name is 5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane.

Molecular Properties

Compound Name5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane
PubChem CID59172659
Molecular FormulaC14H23F7O3
Molecular Weight372.32 g/mol
Exact Mass372.15
IUPAC Name5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane
SMILESCCCOCC(F)(F)OCCC(C(F)(F)F)C(F)(F)COCCC
InChIInChI=1S/C14H23F7O3/c1-3-6-22-9-12(15,16)11(14(19,20)21)5-8-24-13(17,18)10-23-7-4-2/h11H,3-10H2,1-2H3
InChIKeyFWFZDSYPULUZKM-UHFFFAOYSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.32
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane?
The IUPAC name of 5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane (CID 59172659) is 5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane.
What is the SMILES notation for 5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane?
The canonical SMILES for 5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane is CCCOCC(F)(F)OCCC(C(F)(F)F)C(F)(F)COCCC.
What is the InChIKey of 5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane?
The InChIKey is FWFZDSYPULUZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F7O3/c1-3-6-22-9-12(15,16)11(14(19,20)21)5-8-24-13(17,18)10-23-7-4-2/h11H,3-10H2,1-2H3.
What are the key properties of 5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane?
5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane has a molecular weight of 372.32 g/mol, XLogP of 4.65, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoro-2-propoxyethoxy)-2,2-difluoro-1-propoxy-3-(trifluoromethyl)pentane is sourced from PubChem (CID 59172659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).