1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane

C8H16F4O — CID 170584981

IUPAC1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane
SMILESCC.CC(F)(F)CCOC(C)(F)F
InChIInChI=1S/C6H10F4O.C2H6/c1-5(7,8)3-4-11-6(2,9)10;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyIUFSXZVTFWCCTI-UHFFFAOYSA-N
MW204.21 g/mol
LogP3.69
Rot. Bonds4

About 1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane

1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane (PubChem CID 170584981) has the molecular formula C8H16F4O and a molecular weight of 204.21 g/mol. Its IUPAC name is 1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane.

Molecular Properties

Compound Name1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane
PubChem CID170584981
Molecular FormulaC8H16F4O
Molecular Weight204.21 g/mol
Exact Mass204.11
IUPAC Name1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane
SMILESCC.CC(F)(F)CCOC(C)(F)F
InChIInChI=1S/C6H10F4O.C2H6/c1-5(7,8)3-4-11-6(2,9)10;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyIUFSXZVTFWCCTI-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane?
The IUPAC name of 1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane (CID 170584981) is 1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane.
What is the SMILES notation for 1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane?
The canonical SMILES for 1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane is CC.CC(F)(F)CCOC(C)(F)F.
What is the InChIKey of 1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane?
The InChIKey is IUFSXZVTFWCCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O.C2H6/c1-5(7,8)3-4-11-6(2,9)10;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of 1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane?
1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane has a molecular weight of 204.21 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethoxy)-3,3-difluorobutane;ethane is sourced from PubChem (CID 170584981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).