3-tert-butyl-3-fluorooxetane

C7H13FO — CID 122426797

IUPAC3-tert-butyl-3-fluorooxetane
SMILESCC(C)(C)C1(F)COC1
InChIInChI=1S/C7H13FO/c1-6(2,3)7(8)4-9-5-7/h4-5H2,1-3H3
InChIKeyUYTIWGZKXQIOBQ-UHFFFAOYSA-N
MW132.18 g/mol
LogP1.77
Rot. Bonds

About 3-tert-butyl-3-fluorooxetane

3-tert-butyl-3-fluorooxetane (PubChem CID 122426797) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-tert-butyl-3-fluorooxetane.

Molecular Properties

Compound Name3-tert-butyl-3-fluorooxetane
PubChem CID122426797
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name3-tert-butyl-3-fluorooxetane
SMILESCC(C)(C)C1(F)COC1
InChIInChI=1S/C7H13FO/c1-6(2,3)7(8)4-9-5-7/h4-5H2,1-3H3
InChIKeyUYTIWGZKXQIOBQ-UHFFFAOYSA-N
XLogP1.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Oxetane, 3-ethyl-3-methyl
CID 520761
3-Tertbutyl oxetane
CID 57869404
3-Ethyl-2-fluoro-3-(methoxymethyl)oxetane
CID 57089713
3-Fluoro-3-propan-2-yloxetane
CID 58222496
1-Fluoro-1-methoxy-3,3-dimethylbutane
CID 59409485
(3-Ethyloxetan-3-yl)methyl hypofluorite
CID 90391096
3-Tert-butyl-3-(trifluoromethyl)oxetane
CID 116875849
3-Ethyl-3-(trifluoromethyl)oxetane
CID 117550906
3-Propan-2-yl-3-(trifluoromethyl)oxetane
CID 117550907
3-Ethyl-3-(fluoromethyl)oxetane
CID 117956424
3-(Difluoromethyl)-3-ethyloxetane
CID 117956425
3-Ethyl-3-fluorooxetane
CID 118320287

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-fluorooxetane?
The IUPAC name of 3-tert-butyl-3-fluorooxetane (CID 122426797) is 3-tert-butyl-3-fluorooxetane.
What is the SMILES notation for 3-tert-butyl-3-fluorooxetane?
The canonical SMILES for 3-tert-butyl-3-fluorooxetane is CC(C)(C)C1(F)COC1.
What is the InChIKey of 3-tert-butyl-3-fluorooxetane?
The InChIKey is UYTIWGZKXQIOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO/c1-6(2,3)7(8)4-9-5-7/h4-5H2,1-3H3.
What are the key properties of 3-tert-butyl-3-fluorooxetane?
3-tert-butyl-3-fluorooxetane has a molecular weight of 132.18 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-fluorooxetane is sourced from PubChem (CID 122426797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).