1-(4,4,4-trifluorobutoxymethoxy)pentane

C10H19F3O2 — CID 22712819

IUPAC1-(4,4,4-trifluorobutoxymethoxy)pentane
SMILESCCCCCOCOCCCC(F)(F)F
InChIInChI=1S/C10H19F3O2/c1-2-3-4-7-14-9-15-8-5-6-10(11,12)13/h2-9H2,1H3
InChIKeyQWAQSGRPZFOPHV-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.51
Rot. Bonds9

About 1-(4,4,4-trifluorobutoxymethoxy)pentane

1-(4,4,4-trifluorobutoxymethoxy)pentane (PubChem CID 22712819) has the molecular formula C10H19F3O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutoxymethoxy)pentane.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutoxymethoxy)pentane
PubChem CID22712819
Molecular FormulaC10H19F3O2
Molecular Weight228.25 g/mol
Exact Mass228.13
IUPAC Name1-(4,4,4-trifluorobutoxymethoxy)pentane
SMILESCCCCCOCOCCCC(F)(F)F
InChIInChI=1S/C10H19F3O2/c1-2-3-4-7-14-9-15-8-5-6-10(11,12)13/h2-9H2,1H3
InChIKeyQWAQSGRPZFOPHV-UHFFFAOYSA-N
XLogP3.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Bis(pentyloxy)methane
CID 12573376
1,1,2,2,3,3,4,4-Octafluoro-5-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methoxy}pentane
CID 618624
[Bis(octafluoro-amyloxy)methane]
CID 129763202
1-[1-(2,2,2-Trifluoroethoxy)propoxy]butane
CID 129841693
2-Fluoro-1-(2-fluoro-1-pentoxypentoxy)-1-pentoxypentane
CID 134998563
Ethoxy-pentoxymethane
CID 12632808
1,1,1,2,2,3,3,4,4-Nonafluoro-5-(2,2,3,3,4,4,5,5,5-nonafluoropentoxymethoxymethoxy)pentane
CID 23264802
1,1,2,2,3,3,4,4-Octafluoro-5-({[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methoxy}methoxy)pentane
CID 2780752
5-[Bis(2,2,3,3,4,4,5,5-octafluoropentoxy)methoxy]-1,1,2,2,3,3,4,4-octafluoropentane
CID 14533033
3,3,3-Trifluoropropanal dibutyl acetal
CID 15324359
1-(2-Ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)oxypentane
CID 19761947
1-(1,1,2-Trifluoroethoxymethoxy)pentane
CID 20675044

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutoxymethoxy)pentane?
The IUPAC name of 1-(4,4,4-trifluorobutoxymethoxy)pentane (CID 22712819) is 1-(4,4,4-trifluorobutoxymethoxy)pentane.
What is the SMILES notation for 1-(4,4,4-trifluorobutoxymethoxy)pentane?
The canonical SMILES for 1-(4,4,4-trifluorobutoxymethoxy)pentane is CCCCCOCOCCCC(F)(F)F.
What is the InChIKey of 1-(4,4,4-trifluorobutoxymethoxy)pentane?
The InChIKey is QWAQSGRPZFOPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O2/c1-2-3-4-7-14-9-15-8-5-6-10(11,12)13/h2-9H2,1H3.
What are the key properties of 1-(4,4,4-trifluorobutoxymethoxy)pentane?
1-(4,4,4-trifluorobutoxymethoxy)pentane has a molecular weight of 228.25 g/mol, XLogP of 3.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutoxymethoxy)pentane is sourced from PubChem (CID 22712819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).