1,1,2,2-tetrafluoro-3-propan-2-yloxypropane

C6H10F4O — CID 13201517

IUPAC1,1,2,2-tetrafluoro-3-propan-2-yloxypropane
SMILESCC(C)OCC(F)(F)C(F)F
InChIInChI=1S/C6H10F4O/c1-4(2)11-3-6(9,10)5(7)8/h4-5H,3H2,1-2H3
InChIKeyAJYUHNNHKGHLPY-UHFFFAOYSA-N
MW174.14 g/mol
LogP2.31
Rot. Bonds4

About 1,1,2,2-tetrafluoro-3-propan-2-yloxypropane

1,1,2,2-tetrafluoro-3-propan-2-yloxypropane (PubChem CID 13201517) has the molecular formula C6H10F4O and a molecular weight of 174.14 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-propan-2-yloxypropane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-propan-2-yloxypropane
PubChem CID13201517
Molecular FormulaC6H10F4O
Molecular Weight174.14 g/mol
Exact Mass174.07
IUPAC Name1,1,2,2-tetrafluoro-3-propan-2-yloxypropane
SMILESCC(C)OCC(F)(F)C(F)F
InChIInChI=1S/C6H10F4O/c1-4(2)11-3-6(9,10)5(7)8/h4-5H,3H2,1-2H3
InChIKeyAJYUHNNHKGHLPY-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,2,2-tetrafluoro-3-propan-2-yloxypropane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-propan-2-yloxypropane (CID 13201517) is 1,1,2,2-tetrafluoro-3-propan-2-yloxypropane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-propan-2-yloxypropane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-propan-2-yloxypropane is CC(C)OCC(F)(F)C(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-propan-2-yloxypropane?
The InChIKey is AJYUHNNHKGHLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4O/c1-4(2)11-3-6(9,10)5(7)8/h4-5H,3H2,1-2H3.
What are the key properties of 1,1,2,2-tetrafluoro-3-propan-2-yloxypropane?
1,1,2,2-tetrafluoro-3-propan-2-yloxypropane has a molecular weight of 174.14 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-3-propan-2-yloxypropane is sourced from PubChem (CID 13201517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).