2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane

C14H30F6O — CID 160865851

IUPAC2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane
SMILESCCC(C)(F)F.CCF.CCF.CCOCCC(C)(F)F
InChIInChI=1S/C6H12F2O.C4H8F2.2C2H5F/c1-3-9-5-4-6(2,7)8;1-3-4(2,5)6;2*1-2-3/h3-5H2,1-2H3;3H2,1-2H3;2*2H2,1H3
InChIKeySLCLHTXIUXIEEJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP6.07
Rot. Bonds5

About 2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane

2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane (PubChem CID 160865851) has the molecular formula C14H30F6O and a molecular weight of 328.38 g/mol. Its IUPAC name is 2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane.

Molecular Properties

Compound Name2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane
PubChem CID160865851
Molecular FormulaC14H30F6O
Molecular Weight328.38 g/mol
Exact Mass328.22
IUPAC Name2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane
SMILESCCC(C)(F)F.CCF.CCF.CCOCCC(C)(F)F
InChIInChI=1S/C6H12F2O.C4H8F2.2C2H5F/c1-3-9-5-4-6(2,7)8;1-3-4(2,5)6;2*1-2-3/h3-5H2,1-2H3;3H2,1-2H3;2*2H2,1H3
InChIKeySLCLHTXIUXIEEJ-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.38
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane?
The IUPAC name of 2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane (CID 160865851) is 2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane.
What is the SMILES notation for 2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane?
The canonical SMILES for 2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane is CCC(C)(F)F.CCF.CCF.CCOCCC(C)(F)F.
What is the InChIKey of 2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane?
The InChIKey is SLCLHTXIUXIEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2O.C4H8F2.2C2H5F/c1-3-9-5-4-6(2,7)8;1-3-4(2,5)6;2*1-2-3/h3-5H2,1-2H3;3H2,1-2H3;2*2H2,1H3.
What are the key properties of 2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane?
2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane has a molecular weight of 328.38 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutane;1-ethoxy-3,3-difluorobutane;fluoroethane is sourced from PubChem (CID 160865851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).