1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane

C10F22O — CID 15124849

IUPAC1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F22O/c11-1(12,2(13,14)4(17,18)7(22,23)24)3(15,16)5(19,20)10(31,32)33-6(21,8(25,26)27)9(28,29)30
InChIKeyPYDVCQYDWDMTSM-UHFFFAOYSA-N
MW554.06 g/mol
LogP7.12
Rot. Bonds7

About 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane (PubChem CID 15124849) has the molecular formula C10F22O and a molecular weight of 554.06 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane
PubChem CID15124849
Molecular FormulaC10F22O
Molecular Weight554.06 g/mol
Exact Mass553.96
IUPAC Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10F22O/c11-1(12,2(13,14)4(17,18)7(22,23)24)3(15,16)5(19,20)10(31,32)33-6(21,8(25,26)27)9(28,29)30
InChIKeyPYDVCQYDWDMTSM-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.06
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane (CID 15124849) is 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane?
The InChIKey is PYDVCQYDWDMTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F22O/c11-1(12,2(13,14)4(17,18)7(22,23)24)3(15,16)5(19,20)10(31,32)33-6(21,8(25,26)27)9(28,29)30.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane?
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane has a molecular weight of 554.06 g/mol, XLogP of 7.12, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)heptane is sourced from PubChem (CID 15124849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).