2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane

C13H21F3O — CID 20770047

IUPAC2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane
SMILESCC1C2CC(CC(C)(C)C(F)(F)F)C(O2)C1C
InChIInChI=1S/C13H21F3O/c1-7-8(2)11-9(5-10(7)17-11)6-12(3,4)13(14,15)16/h7-11H,5-6H2,1-4H3
InChIKeySBMAVDISXVIFBM-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.02
Rot. Bonds2

About 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane

2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane (PubChem CID 20770047) has the molecular formula C13H21F3O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane
PubChem CID20770047
Molecular FormulaC13H21F3O
Molecular Weight250.30 g/mol
Exact Mass250.15
IUPAC Name2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane
SMILESCC1C2CC(CC(C)(C)C(F)(F)F)C(O2)C1C
InChIInChI=1S/C13H21F3O/c1-7-8(2)11-9(5-10(7)17-11)6-12(3,4)13(14,15)16/h7-11H,5-6H2,1-4H3
InChIKeySBMAVDISXVIFBM-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane with MolForge

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Related Compounds

(5R,6S,9R,10R,15R,16S,20R,21S,24R,25R,30R,31S,34R,35R,36S,38R,39R,40S,42R,43R,44R,45R,46S,48R,49R)-5,15,20,30,36,40,46-heptaethyl-9,10,24,25,34,35,38,39,42,43,44,45,48,49-tetradecamethyl-2,4,7,12,14,17,19,22,27,29,32-undecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane
CID 90168302
5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethylbicyclo[2.2.1]heptane;5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,3-dimethyl-7-oxabicyclo[2.2.1]heptane
CID 91198024
(3,3,3-trifluoro-2,2-dimethylpropyl)cyclopentane
CID 118360308
2,2-difluoro-5,6-dimethyl-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane;2,3-dimethyl-5-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 90788583
2,3-dimethyl-5-(2-methyl-1,3-dithiolan-2-yl)-7-oxabicyclo[2.2.1]heptane
CID 58210266
2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane
CID 58205815
(3R,4S)-3-(3,3,3-trifluoro-2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-amine
CID 150193100
1-(5,6-dimethyl-7-oxabicyclo[2.2.1]heptan-2-yl)cyclohexan-1-ol
CID 20746701
[(1R,2R,4S)-5-oxabicyclo[2.1.0]pentan-2-yl]methanol
CID 88623033
2-trimethylsilylethyl 5,6-dimethyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 90925989
2-methyl-4,9-dioxatetracyclo[5.4.0.03,5.08,10]undecane
CID 156633397
3-methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane (CID 20770047) is 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane is CC1C2CC(CC(C)(C)C(F)(F)F)C(O2)C1C.
What is the InChIKey of 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane?
The InChIKey is SBMAVDISXVIFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O/c1-7-8(2)11-9(5-10(7)17-11)6-12(3,4)13(14,15)16/h7-11H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane?
2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane has a molecular weight of 250.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(3,3,3-trifluoro-2,2-dimethylpropyl)-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 20770047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).