3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane

C9H17FO — CID 134458862

IUPAC3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane
SMILESCC(C)(C)CC1(CF)COC1
InChIInChI=1S/C9H17FO/c1-8(2,3)4-9(5-10)6-11-7-9/h4-7H2,1-3H3
InChIKeyVBJZBGHZLRIJOL-UHFFFAOYSA-N
MW160.23 g/mol
LogP2.41
Rot. Bonds2

About 3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane

3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane (PubChem CID 134458862) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane
PubChem CID134458862
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane
SMILESCC(C)(C)CC1(CF)COC1
InChIInChI=1S/C9H17FO/c1-8(2,3)4-9(5-10)6-11-7-9/h4-7H2,1-3H3
InChIKeyVBJZBGHZLRIJOL-UHFFFAOYSA-N
XLogP2.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane?
The IUPAC name of 3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane (CID 134458862) is 3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane?
The canonical SMILES for 3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane is CC(C)(C)CC1(CF)COC1.
What is the InChIKey of 3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane?
The InChIKey is VBJZBGHZLRIJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FO/c1-8(2,3)4-9(5-10)6-11-7-9/h4-7H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane?
3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane has a molecular weight of 160.23 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-3-(fluoromethyl)oxetane is sourced from PubChem (CID 134458862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).