1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane

C11H7F17O — CID 87408697

IUPAC1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane
SMILESCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H7F17O/c1-2-3-29-11(27,28)8(19,20)7(17,18)6(15,16)5(13,14)4(12,9(21,22)23)10(24,25)26/h2-3H2,1H3
InChIKeyRHMOAJBQQVZBTL-UHFFFAOYSA-N
MW478.14 g/mol
LogP6.38
Rot. Bonds8

About 1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane

1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane (PubChem CID 87408697) has the molecular formula C11H7F17O and a molecular weight of 478.14 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane
PubChem CID87408697
Molecular FormulaC11H7F17O
Molecular Weight478.14 g/mol
Exact Mass478.02
IUPAC Name1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane
SMILESCCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H7F17O/c1-2-3-29-11(27,28)8(19,20)7(17,18)6(15,16)5(13,14)4(12,9(21,22)23)10(24,25)26/h2-3H2,1H3
InChIKeyRHMOAJBQQVZBTL-UHFFFAOYSA-N
XLogP6.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.14
LogP ≤ 56.38
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 1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane?
The IUPAC name of 1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane (CID 87408697) is 1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane.
What is the SMILES notation for 1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane?
The canonical SMILES for 1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane is CCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane?
The InChIKey is RHMOAJBQQVZBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F17O/c1-2-3-29-11(27,28)8(19,20)7(17,18)6(15,16)5(13,14)4(12,9(21,22)23)10(24,25)26/h2-3H2,1H3.
What are the key properties of 1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane?
1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane has a molecular weight of 478.14 g/mol, XLogP of 6.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-propoxy-2-(trifluoromethyl)heptane is sourced from PubChem (CID 87408697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).