ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol

C8H10F12O4 — CID 170615010

IUPACethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol
SMILESCC.OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(O)(F)F.[H][H]
InChIInChI=1S/C6H2F12O4.C2H6.H2/c7-1(8,19)3(11,12)21-5(15,16)6(17,18)22-4(13,14)2(9,10)20;1-2;/h19-20H;1-2H3;1H
InChIKeyBWLHFIKFDSNEGR-UHFFFAOYSA-N
MW398.14 g/mol
LogP3.83
Rot. Bonds7

About ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol

ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol (PubChem CID 170615010) has the molecular formula C8H10F12O4 and a molecular weight of 398.14 g/mol. Its IUPAC name is ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol.

Molecular Properties

Compound Nameethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol
PubChem CID170615010
Molecular FormulaC8H10F12O4
Molecular Weight398.14 g/mol
Exact Mass398.04
IUPAC Nameethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol
SMILESCC.OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(O)(F)F.[H][H]
InChIInChI=1S/C6H2F12O4.C2H6.H2/c7-1(8,19)3(11,12)21-5(15,16)6(17,18)22-4(13,14)2(9,10)20;1-2;/h19-20H;1-2H3;1H
InChIKeyBWLHFIKFDSNEGR-UHFFFAOYSA-N
XLogP3.83
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol?
The IUPAC name of ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol (CID 170615010) is ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol.
What is the SMILES notation for ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol?
The canonical SMILES for ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol is CC.OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(O)(F)F.[H][H].
What is the InChIKey of ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol?
The InChIKey is BWLHFIKFDSNEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O4.C2H6.H2/c7-1(8,19)3(11,12)21-5(15,16)6(17,18)22-4(13,14)2(9,10)20;1-2;/h19-20H;1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol?
ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol has a molecular weight of 398.14 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-hydroxyethoxy)ethoxy]ethanol is sourced from PubChem (CID 170615010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).