7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane

C11H12F12O — CID 19761943

IUPAC7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
SMILESCCC(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H12F12O/c1-3-5(2)24-4-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(12)13/h5-6H,3-4H2,1-2H3
InChIKeyTUMPFZQSTILVHD-UHFFFAOYSA-N
MW388.19 g/mol
LogP5.24
Rot. Bonds9

About 7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane

7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane (PubChem CID 19761943) has the molecular formula C11H12F12O and a molecular weight of 388.19 g/mol. Its IUPAC name is 7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane.

Molecular Properties

Compound Name7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
PubChem CID19761943
Molecular FormulaC11H12F12O
Molecular Weight388.19 g/mol
Exact Mass388.07
IUPAC Name7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane
SMILESCCC(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H12F12O/c1-3-5(2)24-4-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(12)13/h5-6H,3-4H2,1-2H3
InChIKeyTUMPFZQSTILVHD-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.19
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane with MolForge

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Related Compounds

Ethyl perfluorooctyl ether
CID 87277037
Tetrahydro(1,1,2,2,3,3,4,4,4-nonafluorobutyl)furan
CID 134921
1,1,1,2,2,3,3,4,4-Nonafluoro-6-propoxyhexane
CID 44480565
1,1,1,2,2,3,3,4,4-Nonafluoro-6-(pentyloxy)hexane
CID 44480566
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-propoxyoctane
CID 44480567
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
CID 44480568
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
Ethyl perfluoroheptyl ether
CID 9909702
Bis(1-(perfluorobutyl)ethyl) ether
CID 21954135
6-Ethoxy-1,1,1,2,2,3,3,4,4-nonafluorohexane
CID 54330931
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-methoxy-heptane
CID 21057573
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-7-propoxyheptane
CID 15006624

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
The IUPAC name of 7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane (CID 19761943) is 7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane.
What is the SMILES notation for 7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
The canonical SMILES for 7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane is CCC(C)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
The InChIKey is TUMPFZQSTILVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F12O/c1-3-5(2)24-4-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(12)13/h5-6H,3-4H2,1-2H3.
What are the key properties of 7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane?
7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane has a molecular weight of 388.19 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoroheptane is sourced from PubChem (CID 19761943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).