2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane

C11H18F6O2 — CID 88506311

IUPAC2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane
SMILESCC(C)(COCCC(F)(F)F)COCCC(F)(F)F
InChIInChI=1S/C11H18F6O2/c1-9(2,7-18-5-3-10(12,13)14)8-19-6-4-11(15,16)17/h3-8H2,1-2H3
InChIKeyPAESCRHMAMEOJG-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.95
Rot. Bonds8

About 2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane

2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane (PubChem CID 88506311) has the molecular formula C11H18F6O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane.

Molecular Properties

Compound Name2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane
PubChem CID88506311
Molecular FormulaC11H18F6O2
Molecular Weight296.25 g/mol
Exact Mass296.12
IUPAC Name2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane
SMILESCC(C)(COCCC(F)(F)F)COCCC(F)(F)F
InChIInChI=1S/C11H18F6O2/c1-9(2,7-18-5-3-10(12,13)14)8-19-6-4-11(15,16)17/h3-8H2,1-2H3
InChIKeyPAESCRHMAMEOJG-UHFFFAOYSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane?
The IUPAC name of 2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane (CID 88506311) is 2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane.
What is the SMILES notation for 2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane?
The canonical SMILES for 2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane is CC(C)(COCCC(F)(F)F)COCCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane?
The InChIKey is PAESCRHMAMEOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F6O2/c1-9(2,7-18-5-3-10(12,13)14)8-19-6-4-11(15,16)17/h3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane?
2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane has a molecular weight of 296.25 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-bis(3,3,3-trifluoropropoxy)propane is sourced from PubChem (CID 88506311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).