2-tert-butyl-5-fluoro-5-methyloxane

C10H19FO — CID 170179078

IUPAC2-tert-butyl-5-fluoro-5-methyloxane
SMILESCC1(F)CCC(C(C)(C)C)OC1
InChIInChI=1S/C10H19FO/c1-9(2,3)8-5-6-10(4,11)7-12-8/h8H,5-7H2,1-4H3
InChIKeyNUOOWXAWDJXYHL-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.94
Rot. Bonds

About 2-tert-butyl-5-fluoro-5-methyloxane

2-tert-butyl-5-fluoro-5-methyloxane (PubChem CID 170179078) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-5-methyloxane.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-5-methyloxane
PubChem CID170179078
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name2-tert-butyl-5-fluoro-5-methyloxane
SMILESCC1(F)CCC(C(C)(C)C)OC1
InChIInChI=1S/C10H19FO/c1-9(2,3)8-5-6-10(4,11)7-12-8/h8H,5-7H2,1-4H3
InChIKeyNUOOWXAWDJXYHL-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Tert-butyloxane
CID 21482440
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
4-Fluoro-4-methyl-2-oxaspiro[5.5]undecane
CID 122380283
(2R,4S)-4-fluoro-2-propan-2-yloxane
CID 154718108
5-Trimethyl oxane
CID 58787548
(2S,5R)-2-tert-butyl-5-methyloxane
CID 90348358
(2R,4S)-2-tert-butyl-4-methyloxane
CID 132040256
2-[1,3-Difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane
CID 18998992
(3R,4S)-2-ethyl-6-fluoro-3,4,5-trimethyloxane
CID 58241376
2,2-Difluoro-8,8-dimethyl-1-propan-2-yloxynonane
CID 58275565
6,6-Difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane
CID 58275567
5,5-Difluoro-2,2,6-trimethyl-1-propan-2-yloxyheptane
CID 58275593

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-fluoro-5-methyloxane?
The IUPAC name of 2-tert-butyl-5-fluoro-5-methyloxane (CID 170179078) is 2-tert-butyl-5-fluoro-5-methyloxane.
What is the SMILES notation for 2-tert-butyl-5-fluoro-5-methyloxane?
The canonical SMILES for 2-tert-butyl-5-fluoro-5-methyloxane is CC1(F)CCC(C(C)(C)C)OC1.
What is the InChIKey of 2-tert-butyl-5-fluoro-5-methyloxane?
The InChIKey is NUOOWXAWDJXYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-9(2,3)8-5-6-10(4,11)7-12-8/h8H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-5-fluoro-5-methyloxane?
2-tert-butyl-5-fluoro-5-methyloxane has a molecular weight of 174.26 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoro-5-methyloxane is sourced from PubChem (CID 170179078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).