1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane

C13H22F2 — CID 153310705

IUPAC1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane
SMILESCC(C)(C)C12CCC(CC1(F)F)C2(C)C
InChIInChI=1S/C13H22F2/c1-10(2,3)12-7-6-9(11(12,4)5)8-13(12,14)15/h9H,6-8H2,1-5H3
InChIKeyQAZYNDATYCNGEA-UHFFFAOYSA-N
MW216.31 g/mol
LogP4.49
Rot. Bonds

About 1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane

1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane (PubChem CID 153310705) has the molecular formula C13H22F2 and a molecular weight of 216.31 g/mol. Its IUPAC name is 1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane
PubChem CID153310705
Molecular FormulaC13H22F2
Molecular Weight216.31 g/mol
Exact Mass216.17
IUPAC Name1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane
SMILESCC(C)(C)C12CCC(CC1(F)F)C2(C)C
InChIInChI=1S/C13H22F2/c1-10(2,3)12-7-6-9(11(12,4)5)8-13(12,14)15/h9H,6-8H2,1-5H3
InChIKeyQAZYNDATYCNGEA-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-difluoro-7,7-dimethyl-1-propan-2-ylbicyclo[2.2.1]heptane
CID 153288356
1-tert-butyl-5,5-dimethylbicyclo[2.1.1]hexane
CID 166031080
(1R,2S,4S)-2-tert-butyl-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 101234251
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
2-tert-butyl-3,3-difluoro-2-methylpyrrolidine
CID 83855284
1-fluorobicyclo[2.2.0]hexane
CID 91806231
4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
CID 158523414
(1S,5R)-2-tert-butyl-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 59952678
3-fluoro-5,10,10-trimethyl-4λ6-thia-3-azatricyclo[5.2.1.01,5]decane 4,4-dioxide
CID 54085630
1,3,3-trimethyl-2-(3,3,3-trifluoropropyl)bicyclo[2.2.1]heptan-2-ol
CID 115401258
1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-oxetane]-2',4'-dione
CID 88706988
1,7,7-trimethylbicyclo[2.2.1]heptane;hydrate
CID 141349700

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane (CID 153310705) is 1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane is CC(C)(C)C12CCC(CC1(F)F)C2(C)C.
What is the InChIKey of 1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane?
The InChIKey is QAZYNDATYCNGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2/c1-10(2,3)12-7-6-9(11(12,4)5)8-13(12,14)15/h9H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane?
1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane has a molecular weight of 216.31 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 153310705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).