3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide

C11H20F3NO2 — CID 169194005

IUPAC3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C(F)(F)F.CC1CCOC1
InChIInChI=1S/C6H10F3NO.C5H10O/c1-4(2)3-10-5(11)6(7,8)9;1-5-2-3-6-4-5/h4H,3H2,1-2H3,(H,10,11);5H,2-4H2,1H3
InChIKeyGOKMQTGFBRPFTG-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.36
Rot. Bonds2

About 3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide

3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide (PubChem CID 169194005) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide
PubChem CID169194005
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)C(F)(F)F.CC1CCOC1
InChIInChI=1S/C6H10F3NO.C5H10O/c1-4(2)3-10-5(11)6(7,8)9;1-5-2-3-6-4-5/h4H,3H2,1-2H3,(H,10,11);5H,2-4H2,1H3
InChIKeyGOKMQTGFBRPFTG-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide?
The IUPAC name of 3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide (CID 169194005) is 3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide?
The canonical SMILES for 3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)C(F)(F)F.CC1CCOC1.
What is the InChIKey of 3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide?
The InChIKey is GOKMQTGFBRPFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.C5H10O/c1-4(2)3-10-5(11)6(7,8)9;1-5-2-3-6-4-5/h4H,3H2,1-2H3,(H,10,11);5H,2-4H2,1H3.
What are the key properties of 3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide?
3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide has a molecular weight of 255.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxolane;2,2,2-trifluoro-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 169194005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).