2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane

C11H17F3 — CID 118360310

IUPAC2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
SMILESCC(C)(C1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C11H17F3/c1-10(2,11(12,13)14)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3
InChIKeyCEIGEZGLLXQGLL-UHFFFAOYSA-N
MW206.25 g/mol
LogP4.01
Rot. Bonds1

About 2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane

2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane (PubChem CID 118360310) has the molecular formula C11H17F3 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
PubChem CID118360310
Molecular FormulaC11H17F3
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane
SMILESCC(C)(C1CC2CCC1C2)C(F)(F)F
InChIInChI=1S/C11H17F3/c1-10(2,11(12,13)14)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3
InChIKeyCEIGEZGLLXQGLL-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane
CID 68641749
2-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 58958840
2-bicyclo[2.2.1]heptanyl(difluoro)methanethiol
CID 88533789
1-(2-bicyclo[2.2.1]heptanyl)-1-fluoroethanesulfonic acid
CID 123733478
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)bicyclo[2.2.1]heptane
CID 89413784
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-N-methylpropan-2-amine
CID 154963024
[2-(2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] tert-butyl carbonate
CID 21063667
2-tert-butylbicyclo[3.2.1]octane
CID 21352041
2-(2-bicyclo[2.2.1]heptanyl)propan-2-yl formate
CID 126747382
(2R)-2-tert-butylbicyclo[2.2.2]octane
CID 153289737
2-(2-bicyclo[2.2.1]heptanyl)-2-methoxypropan-1-amine
CID 130609836
2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonate
CID 58861636

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane (CID 118360310) is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane is CC(C)(C1CC2CCC1C2)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane?
The InChIKey is CEIGEZGLLXQGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3/c1-10(2,11(12,13)14)9-6-7-3-4-8(9)5-7/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane?
2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane has a molecular weight of 206.25 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 118360310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).