ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane

C14H31FO4 — CID 171646714

IUPACethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane
SMILESCC.CC(C)COCCOCCOCCOCCF
InChIInChI=1S/C12H25FO4.C2H6/c1-12(2)11-17-10-9-16-8-7-15-6-5-14-4-3-13;1-2/h12H,3-11H2,1-2H3;1-2H3
InChIKeyPNJWWADUQLMIFO-UHFFFAOYSA-N
MW282.40 g/mol
LogP2.70
Rot. Bonds13

About ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane

ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane (PubChem CID 171646714) has the molecular formula C14H31FO4 and a molecular weight of 282.40 g/mol. Its IUPAC name is ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane.

Molecular Properties

Compound Nameethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane
PubChem CID171646714
Molecular FormulaC14H31FO4
Molecular Weight282.40 g/mol
Exact Mass282.22
IUPAC Nameethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane
SMILESCC.CC(C)COCCOCCOCCOCCF
InChIInChI=1S/C12H25FO4.C2H6/c1-12(2)11-17-10-9-16-8-7-15-6-5-14-4-3-13;1-2/h12H,3-11H2,1-2H3;1-2H3
InChIKeyPNJWWADUQLMIFO-UHFFFAOYSA-N
XLogP2.70
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 6428225
3-methyl-1-[2-(2-methylpropoxy)ethoxy]butane
CID 90326526
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
1,2-bis(2-fluoroethoxy)propane
CID 175717319
2-methyl-1-[3-(2-methylpropoxy)propoxy]propane
CID 22020669
(2S)-1-[2-(2-methylpropoxy)ethoxy]propan-2-amine
CID 106447202
ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen
CID 166117976
3,3,3-trifluoro-2-[2-(2-methylpropoxy)ethoxymethyl]propan-1-amine
CID 106447048
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
1-[2-(2-methylpropoxy)ethoxy]butan-2-ol
CID 106448685
3-[2-(2-methylpropoxy)ethoxy]propanenitrile
CID 106447606
2-methyl-N-[2-[2-(2-methylpropoxy)ethoxy]ethyl]propan-1-amine
CID 106449858

Frequently Asked Questions

What is the IUPAC name of ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane?
The IUPAC name of ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane (CID 171646714) is ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane.
What is the SMILES notation for ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane?
The canonical SMILES for ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane is CC.CC(C)COCCOCCOCCOCCF.
What is the InChIKey of ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane?
The InChIKey is PNJWWADUQLMIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO4.C2H6/c1-12(2)11-17-10-9-16-8-7-15-6-5-14-4-3-13;1-2/h12H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane?
ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane has a molecular weight of 282.40 g/mol, XLogP of 2.70, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[2-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]ethoxy]-2-methylpropane is sourced from PubChem (CID 171646714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).