2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane

C9H17F3O2 — CID 59223650

IUPAC2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane
SMILESCCOC[C@H](OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-5-13-6-7(9(10,11)12)14-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyFPWZQDJYBSDWCB-ZETCQYMHSA-N
MW214.23 g/mol
LogP2.77
Rot. Bonds4

About 2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane

2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane (PubChem CID 59223650) has the molecular formula C9H17F3O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane.

Molecular Properties

Compound Name2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane
PubChem CID59223650
Molecular FormulaC9H17F3O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Name2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane
SMILESCCOC[C@H](OC(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-5-13-6-7(9(10,11)12)14-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyFPWZQDJYBSDWCB-ZETCQYMHSA-N
XLogP2.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane?
The IUPAC name of 2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane (CID 59223650) is 2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane.
What is the SMILES notation for 2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane?
The canonical SMILES for 2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane is CCOC[C@H](OC(C)(C)C)C(F)(F)F.
What is the InChIKey of 2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane?
The InChIKey is FPWZQDJYBSDWCB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17F3O2/c1-5-13-6-7(9(10,11)12)14-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of 2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane?
2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane has a molecular weight of 214.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-ethoxy-1,1,1-trifluoropropan-2-yl]oxy-2-methylpropane is sourced from PubChem (CID 59223650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).