ethanol;propan-2-one;1,1,1,2-tetrafluoroethane

C7H14F4O2 — CID 162080870

IUPACethanol;propan-2-one;1,1,1,2-tetrafluoroethane
SMILESCC(C)=O.CCO.FCC(F)(F)F
InChIInChI=1S/C3H6O.C2H2F4.C2H6O/c1-3(2)4;3-1-2(4,5)6;1-2-3/h1-2H3;1H2;3H,2H2,1H3
InChIKeyZCIAKLBZDAJHCF-UHFFFAOYSA-N
MW206.18 g/mol
LogP2.11
Rot. Bonds

About ethanol;propan-2-one;1,1,1,2-tetrafluoroethane

ethanol;propan-2-one;1,1,1,2-tetrafluoroethane (PubChem CID 162080870) has the molecular formula C7H14F4O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is ethanol;propan-2-one;1,1,1,2-tetrafluoroethane.

Molecular Properties

Compound Nameethanol;propan-2-one;1,1,1,2-tetrafluoroethane
PubChem CID162080870
Molecular FormulaC7H14F4O2
Molecular Weight206.18 g/mol
Exact Mass206.09
IUPAC Nameethanol;propan-2-one;1,1,1,2-tetrafluoroethane
SMILESCC(C)=O.CCO.FCC(F)(F)F
InChIInChI=1S/C3H6O.C2H2F4.C2H6O/c1-3(2)4;3-1-2(4,5)6;1-2-3/h1-2H3;1H2;3H,2H2,1H3
InChIKeyZCIAKLBZDAJHCF-UHFFFAOYSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;propan-2-one;1,1,1,2-tetrafluoroethane?
The IUPAC name of ethanol;propan-2-one;1,1,1,2-tetrafluoroethane (CID 162080870) is ethanol;propan-2-one;1,1,1,2-tetrafluoroethane.
What is the SMILES notation for ethanol;propan-2-one;1,1,1,2-tetrafluoroethane?
The canonical SMILES for ethanol;propan-2-one;1,1,1,2-tetrafluoroethane is CC(C)=O.CCO.FCC(F)(F)F.
What is the InChIKey of ethanol;propan-2-one;1,1,1,2-tetrafluoroethane?
The InChIKey is ZCIAKLBZDAJHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.C2H2F4.C2H6O/c1-3(2)4;3-1-2(4,5)6;1-2-3/h1-2H3;1H2;3H,2H2,1H3.
What are the key properties of ethanol;propan-2-one;1,1,1,2-tetrafluoroethane?
ethanol;propan-2-one;1,1,1,2-tetrafluoroethane has a molecular weight of 206.18 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;propan-2-one;1,1,1,2-tetrafluoroethane is sourced from PubChem (CID 162080870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).