3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane

C11H21FO — CID 134477379

IUPAC3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane
SMILESCCC(C)(CC)CC1(CF)COC1
InChIInChI=1S/C11H21FO/c1-4-10(3,5-2)6-11(7-12)8-13-9-11/h4-9H2,1-3H3
InChIKeyLILUMKVZADUHBN-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.19
Rot. Bonds5

About 3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane

3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane (PubChem CID 134477379) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane.

Molecular Properties

Compound Name3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane
PubChem CID134477379
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane
SMILESCCC(C)(CC)CC1(CF)COC1
InChIInChI=1S/C11H21FO/c1-4-10(3,5-2)6-11(7-12)8-13-9-11/h4-9H2,1-3H3
InChIKeyLILUMKVZADUHBN-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane?
The IUPAC name of 3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane (CID 134477379) is 3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane.
What is the SMILES notation for 3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane?
The canonical SMILES for 3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane is CCC(C)(CC)CC1(CF)COC1.
What is the InChIKey of 3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane?
The InChIKey is LILUMKVZADUHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-4-10(3,5-2)6-11(7-12)8-13-9-11/h4-9H2,1-3H3.
What are the key properties of 3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane?
3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane has a molecular weight of 188.29 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-2-methylbutyl)-3-(fluoromethyl)oxetane is sourced from PubChem (CID 134477379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).