1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane

C7H5F11O — CID 23345376

IUPAC1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
SMILESCCC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c1-2-3(8,9)7(17,18)19-4(10,5(11,12)13)6(14,15)16/h2H2,1H3
InChIKeyRPVMXZZXOIYBKF-UHFFFAOYSA-N
MW314.09 g/mol
LogP4.43
Rot. Bonds4

About 1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane

1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane (PubChem CID 23345376) has the molecular formula C7H5F11O and a molecular weight of 314.09 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
PubChem CID23345376
Molecular FormulaC7H5F11O
Molecular Weight314.09 g/mol
Exact Mass314.02
IUPAC Name1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
SMILESCCC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H5F11O/c1-2-3(8,9)7(17,18)19-4(10,5(11,12)13)6(14,15)16/h2H2,1H3
InChIKeyRPVMXZZXOIYBKF-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Ethoxynonafluorobutane
CID 206000
1,1,1,2,2,3,3,4,4-Nonafluoro-4-propoxybutane
CID 22670037
4-(1,1-Difluoroethoxy)-1,1,1,2,2,3,3-heptafluorobutane
CID 75360834
Methyl 3H-perfluoroisopropyl ether
CID 13332851
2-Ethoxy-1,1,1,2,3,3,3-heptafluoropropane
CID 179387
Difluoromethyl-1-fluoro-2,2,2-trifluoroethyl ether
CID 21647381
1,2-Trifluoroethyl-difluoromethyl ether
CID 23120850
Trifluoroethyldifluoromethyl ether
CID 57076582
Difluoro-ethylmethyl ether
CID 59628160
1,1,1,2-Tetrafluoro-2-(trifluoromethoxy)butane
CID 71358567
2,2,2-Trifluoroethyl-1,1,2,2-tetrafluoroethyl ether
CID 87337995
1,1,2,2,3,3,4,4-Octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane
CID 129185682

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane?
The IUPAC name of 1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane (CID 23345376) is 1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane?
The canonical SMILES for 1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane is CCC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane?
The InChIKey is RPVMXZZXOIYBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11O/c1-2-3(8,9)7(17,18)19-4(10,5(11,12)13)6(14,15)16/h2H2,1H3.
What are the key properties of 1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane?
1,1,2,2-tetrafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane has a molecular weight of 314.09 g/mol, XLogP of 4.43, 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-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane is sourced from PubChem (CID 23345376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).