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

C11H9F15O — CID 19761921

IUPAC1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
SMILESCCC(C)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F15O/c1-3-4(2)27-11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h4H,3H2,1-2H3
InChIKeyLBHVYAJABWWJFV-UHFFFAOYSA-N
MW442.16 g/mol
LogP6.13
Rot. Bonds8

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

1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane (PubChem CID 19761921) has the molecular formula C11H9F15O and a molecular weight of 442.16 g/mol. Its IUPAC name is 1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane.

Molecular Properties

Compound Name1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
PubChem CID19761921
Molecular FormulaC11H9F15O
Molecular Weight442.16 g/mol
Exact Mass442.04
IUPAC Name1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane
SMILESCCC(C)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F15O/c1-3-4(2)27-11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h4H,3H2,1-2H3
InChIKeyLBHVYAJABWWJFV-UHFFFAOYSA-N
XLogP6.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.16
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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 1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane?
The IUPAC name of 1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane (CID 19761921) is 1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane.
What is the SMILES notation for 1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane?
The canonical SMILES for 1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane is CCC(C)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane?
The InChIKey is LBHVYAJABWWJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F15O/c1-3-4(2)27-11(25,26)9(20,21)7(16,17)5(12,13)6(14,15)8(18,19)10(22,23)24/h4H,3H2,1-2H3.
What are the key properties of 1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane?
1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane has a molecular weight of 442.16 g/mol, XLogP of 6.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane is sourced from PubChem (CID 19761921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).