3-ethoxy-1,1,1-trifluoro-2-propoxypropane

C8H15F3O2 — CID 88691879

IUPAC3-ethoxy-1,1,1-trifluoro-2-propoxypropane
SMILESCCCOC(COCC)C(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-3-5-13-7(6-12-4-2)8(9,10)11/h7H,3-6H2,1-2H3
InChIKeyPHHCUKGWPSHGPH-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.38
Rot. Bonds6

About 3-ethoxy-1,1,1-trifluoro-2-propoxypropane

3-ethoxy-1,1,1-trifluoro-2-propoxypropane (PubChem CID 88691879) has the molecular formula C8H15F3O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 3-ethoxy-1,1,1-trifluoro-2-propoxypropane.

Molecular Properties

Compound Name3-ethoxy-1,1,1-trifluoro-2-propoxypropane
PubChem CID88691879
Molecular FormulaC8H15F3O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name3-ethoxy-1,1,1-trifluoro-2-propoxypropane
SMILESCCCOC(COCC)C(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-3-5-13-7(6-12-4-2)8(9,10)11/h7H,3-6H2,1-2H3
InChIKeyPHHCUKGWPSHGPH-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-(3,3,3-trifluoro-2-propoxypropoxy)propanoic acid
CID 141037773
3-ethoxy-1,1,1-trifluoropropan-2-amine
CID 64981755
4-ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
1-ethoxypropane;1-propan-2-yloxypropane
CID 171659153
1-ethoxy-2-methylpropane;1-propoxypropane
CID 174535854
1-ethoxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 103864968
2-(ethoxymethyl)-3,3,3-trifluoropropanoic acid
CID 23113136
1-[2-(3-ethoxy-2-hydroxypropoxy)ethoxy]butan-2-ol
CID 89027633
2-ethoxy-1,1,1,3,4-pentafluorobutane
CID 57199852
(2S)-1-ethoxy-3,3-difluorobutan-2-amine
CID 170383951
1,1,1-trifluoro-3-propoxy-2,2-bis(trifluoromethyl)butane
CID 163452103
(2-ethoxy-1-propoxyethyl)benzene
CID 54522303

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1,1,1-trifluoro-2-propoxypropane?
The IUPAC name of 3-ethoxy-1,1,1-trifluoro-2-propoxypropane (CID 88691879) is 3-ethoxy-1,1,1-trifluoro-2-propoxypropane.
What is the SMILES notation for 3-ethoxy-1,1,1-trifluoro-2-propoxypropane?
The canonical SMILES for 3-ethoxy-1,1,1-trifluoro-2-propoxypropane is CCCOC(COCC)C(F)(F)F.
What is the InChIKey of 3-ethoxy-1,1,1-trifluoro-2-propoxypropane?
The InChIKey is PHHCUKGWPSHGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O2/c1-3-5-13-7(6-12-4-2)8(9,10)11/h7H,3-6H2,1-2H3.
What are the key properties of 3-ethoxy-1,1,1-trifluoro-2-propoxypropane?
3-ethoxy-1,1,1-trifluoro-2-propoxypropane has a molecular weight of 200.20 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1,1,1-trifluoro-2-propoxypropane is sourced from PubChem (CID 88691879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).