4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane

C18H31F7 — CID 162585423

IUPAC4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane
SMILESCCC(C)(C)C(C)(F)C(C)(CC(C)(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C18H31F7/c1-10-13(5,6)16(9,19)14(7,12(2,3)4)11-15(8,17(20,21)22)18(23,24)25/h10-11H2,1-9H3
InChIKeyZABOWOZQWBPVJL-UHFFFAOYSA-N
MW380.43 g/mol
LogP7.72
Rot. Bonds5

About 4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane

4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane (PubChem CID 162585423) has the molecular formula C18H31F7 and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane.

Molecular Properties

Compound Name4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane
PubChem CID162585423
Molecular FormulaC18H31F7
Molecular Weight380.43 g/mol
Exact Mass380.23
IUPAC Name4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane
SMILESCCC(C)(C)C(C)(F)C(C)(CC(C)(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C18H31F7/c1-10-13(5,6)16(9,19)14(7,12(2,3)4)11-15(8,17(20,21)22)18(23,24)25/h10-11H2,1-9H3
InChIKeyZABOWOZQWBPVJL-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.43
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane?
The IUPAC name of 4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane (CID 162585423) is 4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane.
What is the SMILES notation for 4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane?
The canonical SMILES for 4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane is CCC(C)(C)C(C)(F)C(C)(CC(C)(C(F)(F)F)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane?
The InChIKey is ZABOWOZQWBPVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31F7/c1-10-13(5,6)16(9,19)14(7,12(2,3)4)11-15(8,17(20,21)22)18(23,24)25/h10-11H2,1-9H3.
What are the key properties of 4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane?
4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane has a molecular weight of 380.43 g/mol, XLogP of 7.72, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,1,1,5-tetrafluoro-2,4,5,6,6-pentamethyl-2-(trifluoromethyl)octane is sourced from PubChem (CID 162585423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).