5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane

C16H26F6O2 — CID 89088105

IUPAC5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane
SMILESC=CCOC(CCC(F)(F)CC)COCCC(F)(F)CC(C)(F)F
InChIInChI=1S/C16H26F6O2/c1-4-9-24-13(6-7-15(19,20)5-2)11-23-10-8-16(21,22)12-14(3,17)18/h4,13H,1,5-12H2,2-3H3
InChIKeyVBRFQAJLOWBYSJ-UHFFFAOYSA-N
MW364.37 g/mol
LogP5.47
Rot. Bonds14

About 5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane

5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane (PubChem CID 89088105) has the molecular formula C16H26F6O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane.

Molecular Properties

Compound Name5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane
PubChem CID89088105
Molecular FormulaC16H26F6O2
Molecular Weight364.37 g/mol
Exact Mass364.18
IUPAC Name5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane
SMILESC=CCOC(CCC(F)(F)CC)COCCC(F)(F)CC(C)(F)F
InChIInChI=1S/C16H26F6O2/c1-4-9-24-13(6-7-15(19,20)5-2)11-23-10-8-16(21,22)12-14(3,17)18/h4,13H,1,5-12H2,2-3H3
InChIKeyVBRFQAJLOWBYSJ-UHFFFAOYSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.37
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,3-difluoro-1-pentoxypentane
CID 175614037
(3S)-4-butoxy-3-prop-2-enoxybutanal
CID 87415144
2,2,4,4,6,6,8,8-octafluorodecane
CID 126493051
(NE)-N-[(3S)-4-butoxy-3-prop-2-enoxybutylidene]hydroxylamine
CID 173287427
N-ethenyl-2,2,4,4-tetrafluoropentan-1-amine
CID 158174051
4-prop-2-enoxydecane
CID 102003307
3,3,5,5-tetrafluorohexyl 2-methyl-2-(propanoyloxymethyl)butanoate
CID 121403017
sodium (3-dodecoxy-2-prop-2-enoxypropoxy)methanesulfonate
CID 58827399
1-butoxy-3,3-difluorobutane
CID 175614029
3,5-dimethyl-4-prop-2-enoxyheptane;bis(3-ethyl-3-(prop-2-enoxymethyl)pentane);2-methyl-1-[3-(2-methylbutoxy)-2-prop-2-enoxypropoxy]butane
CID 123607229
5-ethenoxy-13-prop-2-enoxyheptadecane
CID 126747600
2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate
CID 174891666

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane?
The IUPAC name of 5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane (CID 89088105) is 5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane.
What is the SMILES notation for 5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane?
The canonical SMILES for 5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane is C=CCOC(CCC(F)(F)CC)COCCC(F)(F)CC(C)(F)F.
What is the InChIKey of 5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane?
The InChIKey is VBRFQAJLOWBYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F6O2/c1-4-9-24-13(6-7-15(19,20)5-2)11-23-10-8-16(21,22)12-14(3,17)18/h4,13H,1,5-12H2,2-3H3.
What are the key properties of 5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane?
5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane has a molecular weight of 364.37 g/mol, XLogP of 5.47, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-2-prop-2-enoxy-1-(3,3,5,5-tetrafluorohexoxy)heptane is sourced from PubChem (CID 89088105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).