1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane

C16H33FO2 — CID 167634065

IUPAC1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane
SMILESC.CC(C)(C)C1(F)CCC1.CC(C)(C)C1(O)COC1
InChIInChI=1S/C8H15F.C7H14O2.CH4/c1-7(2,3)8(9)5-4-6-8;1-6(2,3)7(8)4-9-5-7;/h4-6H2,1-3H3;8H,4-5H2,1-3H3;1H4
InChIKeyOFGQAOJASNZZHQ-UHFFFAOYSA-N
MW276.44 g/mol
LogP4.35
Rot. Bonds

About 1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane

1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane (PubChem CID 167634065) has the molecular formula C16H33FO2 and a molecular weight of 276.44 g/mol. Its IUPAC name is 1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane.

Molecular Properties

Compound Name1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane
PubChem CID167634065
Molecular FormulaC16H33FO2
Molecular Weight276.44 g/mol
Exact Mass276.25
IUPAC Name1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane
SMILESC.CC(C)(C)C1(F)CCC1.CC(C)(C)C1(O)COC1
InChIInChI=1S/C8H15F.C7H14O2.CH4/c1-7(2,3)8(9)5-4-6-8;1-6(2,3)7(8)4-9-5-7;/h4-6H2,1-3H3;8H,4-5H2,1-3H3;1H4
InChIKeyOFGQAOJASNZZHQ-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-1-fluorocyclohexane
CID 13144920
3-(2-aminopropan-2-yl)oxetan-3-ol
CID 155291014
1-tert-butylcyclooctan-1-ol
CID 12697683
2-(3-fluorooxan-3-yl)propan-2-amine
CID 105431698
3-(1,1-difluoroethyl)-3-fluorooxane;difluoromethane;fluoromethane;methane
CID 160526377
5-tert-butyl-2,2-difluorospiro[2.3]hexan-5-ol
CID 172542244
2,6-dichloro-2,6-difluorocyclohexane-1,1-diol
CID 18970970
1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane
CID 158339173
2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane
CID 58225678
6-tert-butyl-1-oxaspiro[3.3]heptan-6-ol
CID 172542205
3-tert-butyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 76587625
[1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine
CID 116874929

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane?
The IUPAC name of 1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane (CID 167634065) is 1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane.
What is the SMILES notation for 1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane?
The canonical SMILES for 1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane is C.CC(C)(C)C1(F)CCC1.CC(C)(C)C1(O)COC1.
What is the InChIKey of 1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane?
The InChIKey is OFGQAOJASNZZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F.C7H14O2.CH4/c1-7(2,3)8(9)5-4-6-8;1-6(2,3)7(8)4-9-5-7;/h4-6H2,1-3H3;8H,4-5H2,1-3H3;1H4.
What are the key properties of 1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane?
1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane has a molecular weight of 276.44 g/mol, XLogP of 4.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane is sourced from PubChem (CID 167634065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).