2-ethenoxy-1,1,1,3-tetrafluorobutane

C6H8F4O — CID 54405193

IUPAC2-ethenoxy-1,1,1,3-tetrafluorobutane
SMILESC=COC(C(C)F)C(F)(F)F
InChIInChI=1S/C6H8F4O/c1-3-11-5(4(2)7)6(8,9)10/h3-5H,1H2,2H3
InChIKeyVQEXHLMOHLMNJI-UHFFFAOYSA-N
MW172.12 g/mol
LogP2.44
Rot. Bonds3

About 2-ethenoxy-1,1,1,3-tetrafluorobutane

2-ethenoxy-1,1,1,3-tetrafluorobutane (PubChem CID 54405193) has the molecular formula C6H8F4O and a molecular weight of 172.12 g/mol. Its IUPAC name is 2-ethenoxy-1,1,1,3-tetrafluorobutane.

Molecular Properties

Compound Name2-ethenoxy-1,1,1,3-tetrafluorobutane
PubChem CID54405193
Molecular FormulaC6H8F4O
Molecular Weight172.12 g/mol
Exact Mass172.05
IUPAC Name2-ethenoxy-1,1,1,3-tetrafluorobutane
SMILESC=COC(C(C)F)C(F)(F)F
InChIInChI=1S/C6H8F4O/c1-3-11-5(4(2)7)6(8,9)10/h3-5H,1H2,2H3
InChIKeyVQEXHLMOHLMNJI-UHFFFAOYSA-N
XLogP2.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-ethenoxy-1,1,1,2,4,4,5,5-octafluoropentane
CID 57312644
1,1,1-trifluoro-2-methoxy-3-methylbutane
CID 59790373
1,1,1,2,4,4,4-heptafluoro-3-methoxybutane
CID 57200862
ethenyl 3,3,3-trifluoro-2-methylpropanoate
CID 174926990
2-ethenoxybutane
CID 13172912
[(2R)-1,1,1-trifluoropropan-2-yl] formate
CID 87244754
2-chloro-1,1,1,2-tetrafluoroethane;ethenoxyethene
CID 174518312
1-ethenoxy-1,2,2-trifluoroethane
CID 22645809
3-ethoxy-1,2,2,4-tetrafluoropentane
CID 57247223
1,1,1,3,3-pentafluoropropan-2-yl prop-2-enoate
CID 87389803
1-ethenoxy-1,2-difluoroethane
CID 56626472
2-(difluoromethoxy)-1,1,1-trifluoropropane
CID 22178549

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxy-1,1,1,3-tetrafluorobutane?
The IUPAC name of 2-ethenoxy-1,1,1,3-tetrafluorobutane (CID 54405193) is 2-ethenoxy-1,1,1,3-tetrafluorobutane.
What is the SMILES notation for 2-ethenoxy-1,1,1,3-tetrafluorobutane?
The canonical SMILES for 2-ethenoxy-1,1,1,3-tetrafluorobutane is C=COC(C(C)F)C(F)(F)F.
What is the InChIKey of 2-ethenoxy-1,1,1,3-tetrafluorobutane?
The InChIKey is VQEXHLMOHLMNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O/c1-3-11-5(4(2)7)6(8,9)10/h3-5H,1H2,2H3.
What are the key properties of 2-ethenoxy-1,1,1,3-tetrafluorobutane?
2-ethenoxy-1,1,1,3-tetrafluorobutane has a molecular weight of 172.12 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxy-1,1,1,3-tetrafluorobutane is sourced from PubChem (CID 54405193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).