4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane

C11H21F3O3 — CID 82789960

IUPAC4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane
SMILESCCOC(CCOCCCC(F)(F)F)OCC
InChIInChI=1S/C11H21F3O3/c1-3-16-10(17-4-2)6-9-15-8-5-7-11(12,13)14/h10H,3-9H2,1-2H3
InChIKeyRIYDTCREZRUSJH-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.13
Rot. Bonds10

About 4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane

4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane (PubChem CID 82789960) has the molecular formula C11H21F3O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane.

Molecular Properties

Compound Name4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane
PubChem CID82789960
Molecular FormulaC11H21F3O3
Molecular Weight258.28 g/mol
Exact Mass258.14
IUPAC Name4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane
SMILESCCOC(CCOCCCC(F)(F)F)OCC
InChIInChI=1S/C11H21F3O3/c1-3-16-10(17-4-2)6-9-15-8-5-7-11(12,13)14/h10H,3-9H2,1-2H3
InChIKeyRIYDTCREZRUSJH-UHFFFAOYSA-N
XLogP3.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
3-(3,3-diethoxypropoxy)-1,1,2,2-tetrafluoropropane
CID 55248600
N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine
CID 113327405
1-(4,4,4-trifluorobutoxy)heptane
CID 54323453
4-(3-ethoxy-3-propan-2-yloxypropoxy)butan-1-ol
CID 91589542
ethyl 2-(ethylamino)-4-(4,4,4-trifluorobutoxy)butanoate
CID 82787989
1-ethoxy-7,7,7-trifluoroheptan-3-amine
CID 105174475
9-(4,4,4-trifluorobutoxy)nonan-1-ol
CID 22407961
2-amino-4-(4,4,4-trifluorobutoxy)butanenitrile
CID 82789680
3-(4,4,4-trifluorobutoxy)propanenitrile
CID 82788617
2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol
CID 162536878
1-bromo-2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propane
CID 82790057

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane?
The IUPAC name of 4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane (CID 82789960) is 4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane.
What is the SMILES notation for 4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane?
The canonical SMILES for 4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane is CCOC(CCOCCCC(F)(F)F)OCC.
What is the InChIKey of 4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane?
The InChIKey is RIYDTCREZRUSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3/c1-3-16-10(17-4-2)6-9-15-8-5-7-11(12,13)14/h10H,3-9H2,1-2H3.
What are the key properties of 4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane?
4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane has a molecular weight of 258.28 g/mol, XLogP of 3.13, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethoxypropoxy)-1,1,1-trifluorobutane is sourced from PubChem (CID 82789960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).