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

C9F20 — CID 15250361

IUPAC1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9F20/c10-2(11,4(14,15)8(24,25)26)1(6(18,19)20,7(21,22)23)3(12,13)5(16,17)9(27,28)29
InChIKeyORFLJWOSEHBGPL-UHFFFAOYSA-N
MW488.06 g/mol
LogP6.76
Rot. Bonds4

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

1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane (PubChem CID 15250361) has the molecular formula C9F20 and a molecular weight of 488.06 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane
PubChem CID15250361
Molecular FormulaC9F20
Molecular Weight488.06 g/mol
Exact Mass487.97
IUPAC Name1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane
SMILESFC(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9F20/c10-2(11,4(14,15)8(24,25)26)1(6(18,19)20,7(21,22)23)3(12,13)5(16,17)9(27,28)29
InChIKeyORFLJWOSEHBGPL-UHFFFAOYSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.06
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane?
The IUPAC name of 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane (CID 15250361) is 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane.
What is the SMILES notation for 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane?
The canonical SMILES for 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane is FC(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane?
The InChIKey is ORFLJWOSEHBGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F20/c10-2(11,4(14,15)8(24,25)26)1(6(18,19)20,7(21,22)23)3(12,13)5(16,17)9(27,28)29.
What are the key properties of 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane?
1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane has a molecular weight of 488.06 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,5,5,6,6,7,7,7-tetradecafluoro-4,4-bis(trifluoromethyl)heptane is sourced from PubChem (CID 15250361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).