6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene

C11H15F3 — CID 163997732

IUPAC6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene
SMILESCC(C1CC2C=CCC1C2)C(F)(F)F
InChIInChI=1S/C11H15F3/c1-7(11(12,13)14)10-6-8-3-2-4-9(10)5-8/h2-3,7-10H,4-6H2,1H3
InChIKeyUGEOJZQDKYECDR-UHFFFAOYSA-N
MW204.23 g/mol
LogP3.79
Rot. Bonds1

About 6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene

6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene (PubChem CID 163997732) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is 6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene
PubChem CID163997732
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene
SMILESCC(C1CC2C=CCC1C2)C(F)(F)F
InChIInChI=1S/C11H15F3/c1-7(11(12,13)14)10-6-8-3-2-4-9(10)5-8/h2-3,7-10H,4-6H2,1H3
InChIKeyUGEOJZQDKYECDR-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273893
1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273921
6-bicyclo[3.2.1]oct-2-enylmethanol
CID 130151844
1-(2,2-dimethylpropyl)-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273938
bicyclo[3.2.1]oct-2-ene-6-carboxylic acid
CID 45084765
5,6-dimethyl-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 14415243
1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane
CID 162553460
1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol
CID 89383559
2-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CID 20759709
bicyclo[4.3.1]deca-2,7-diene
CID 150088804
3-propan-2-yl-1,2,3,3a,4,6a-hexahydropentalene
CID 123886549
4-propan-2-yl-1,3,3a,4,7,7a-hexahydroinden-2-one
CID 564529

Frequently Asked Questions

What is the IUPAC name of 6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene?
The IUPAC name of 6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene (CID 163997732) is 6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene is CC(C1CC2C=CCC1C2)C(F)(F)F.
What is the InChIKey of 6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene?
The InChIKey is UGEOJZQDKYECDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3/c1-7(11(12,13)14)10-6-8-3-2-4-9(10)5-8/h2-3,7-10H,4-6H2,1H3.
What are the key properties of 6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene?
6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene has a molecular weight of 204.23 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1,1-trifluoropropan-2-yl)bicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 163997732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).