ethane;2-methyl-2-(trifluoromethyl)oxetane

C7H13F3O — CID 177148126

IUPACethane;2-methyl-2-(trifluoromethyl)oxetane
SMILESCC.CC1(C(F)(F)F)CCO1
InChIInChI=1S/C5H7F3O.C2H6/c1-4(2-3-9-4)5(6,7)8;1-2/h2-3H2,1H3;1-2H3
InChIKeySEUPYWYISLFRHL-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.75
Rot. Bonds

About ethane;2-methyl-2-(trifluoromethyl)oxetane

ethane;2-methyl-2-(trifluoromethyl)oxetane (PubChem CID 177148126) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is ethane;2-methyl-2-(trifluoromethyl)oxetane.

Molecular Properties

Compound Nameethane;2-methyl-2-(trifluoromethyl)oxetane
PubChem CID177148126
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Nameethane;2-methyl-2-(trifluoromethyl)oxetane
SMILESCC.CC1(C(F)(F)F)CCO1
InChIInChI=1S/C5H7F3O.C2H6/c1-4(2-3-9-4)5(6,7)8;1-2/h2-3H2,1H3;1-2H3
InChIKeySEUPYWYISLFRHL-UHFFFAOYSA-N
XLogP2.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2-(trifluoromethyl)oxetane?
The IUPAC name of ethane;2-methyl-2-(trifluoromethyl)oxetane (CID 177148126) is ethane;2-methyl-2-(trifluoromethyl)oxetane.
What is the SMILES notation for ethane;2-methyl-2-(trifluoromethyl)oxetane?
The canonical SMILES for ethane;2-methyl-2-(trifluoromethyl)oxetane is CC.CC1(C(F)(F)F)CCO1.
What is the InChIKey of ethane;2-methyl-2-(trifluoromethyl)oxetane?
The InChIKey is SEUPYWYISLFRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O.C2H6/c1-4(2-3-9-4)5(6,7)8;1-2/h2-3H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-2-(trifluoromethyl)oxetane?
ethane;2-methyl-2-(trifluoromethyl)oxetane has a molecular weight of 170.17 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2-(trifluoromethyl)oxetane is sourced from PubChem (CID 177148126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).