4-ethoxy-1,1,1,2,2-pentafluorobutane;methane

C7H13F5O — CID 178006484

IUPAC4-ethoxy-1,1,1,2,2-pentafluorobutane;methane
SMILESC.CCOCCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5O.CH4/c1-2-12-4-3-5(7,8)6(9,10)11;/h2-4H2,1H3;1H4
InChIKeyJNFCTINIJFVWIH-UHFFFAOYSA-N
MW208.17 g/mol
LogP3.25
Rot. Bonds4

About 4-ethoxy-1,1,1,2,2-pentafluorobutane;methane

4-ethoxy-1,1,1,2,2-pentafluorobutane;methane (PubChem CID 178006484) has the molecular formula C7H13F5O and a molecular weight of 208.17 g/mol. Its IUPAC name is 4-ethoxy-1,1,1,2,2-pentafluorobutane;methane.

Molecular Properties

Compound Name4-ethoxy-1,1,1,2,2-pentafluorobutane;methane
PubChem CID178006484
Molecular FormulaC7H13F5O
Molecular Weight208.17 g/mol
Exact Mass208.09
IUPAC Name4-ethoxy-1,1,1,2,2-pentafluorobutane;methane
SMILESC.CCOCCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H9F5O.CH4/c1-2-12-4-3-5(7,8)6(9,10)11;/h2-4H2,1H3;1H4
InChIKeyJNFCTINIJFVWIH-UHFFFAOYSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

12-ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
CID 58954528
2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine
CID 122239772
(1-ethoxy-3,3,4,4,5,5,6,6,7,8,8,9,9,10,10,11,11,12,12-nonadecafluorotridecan-7-yl)phosphane
CID 143018723
2-(3,3,4,4,4-pentafluorobutoxymethyl)pentane-1,2-diol
CID 158026669
1,1,1,2,2-pentafluoro-16-propoxyhexadecane
CID 126561771
1-(7,7,8,8,8-pentafluorooctoxy)dodecane
CID 122503667
1-ethoxy-2-(trifluoromethoxy)ethane
CID 87162422
4-ethoxy-2-methylbutane-2-thiol
CID 11643948
1,5-diethoxy-3-methylpentan-3-amine
CID 91552736
18-(3,3-dimethylbutoxy)-1,1,1,2,2-pentafluorooctadecane
CID 162423589
1-ethoxypropane;methane
CID 158784820
1,2-diethoxyethane;hydrofluoride
CID 175535770

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1,1,1,2,2-pentafluorobutane;methane?
The IUPAC name of 4-ethoxy-1,1,1,2,2-pentafluorobutane;methane (CID 178006484) is 4-ethoxy-1,1,1,2,2-pentafluorobutane;methane.
What is the SMILES notation for 4-ethoxy-1,1,1,2,2-pentafluorobutane;methane?
The canonical SMILES for 4-ethoxy-1,1,1,2,2-pentafluorobutane;methane is C.CCOCCC(F)(F)C(F)(F)F.
What is the InChIKey of 4-ethoxy-1,1,1,2,2-pentafluorobutane;methane?
The InChIKey is JNFCTINIJFVWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O.CH4/c1-2-12-4-3-5(7,8)6(9,10)11;/h2-4H2,1H3;1H4.
What are the key properties of 4-ethoxy-1,1,1,2,2-pentafluorobutane;methane?
4-ethoxy-1,1,1,2,2-pentafluorobutane;methane has a molecular weight of 208.17 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1,1,1,2,2-pentafluorobutane;methane is sourced from PubChem (CID 178006484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).