[(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate

C10H15F3O2S — CID 101257267

IUPAC[(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate
SMILESCC1(C)[C@H]2CC[C@H]1[C@H](OS(=O)C(F)(F)F)C2
InChIInChI=1S/C10H15F3O2S/c1-9(2)6-3-4-7(9)8(5-6)15-16(14)10(11,12)13/h6-8H,3-5H2,1-2H3/t6-,7-,8+,16?/m0/s1
InChIKeyRVNQVCQOCPJLKK-UUTQTVQMSA-N
MW256.29 g/mol
LogP3.01
Rot. Bonds2

About [(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate

[(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate (PubChem CID 101257267) has the molecular formula C10H15F3O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is [(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate.

Molecular Properties

Compound Name[(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate
PubChem CID101257267
Molecular FormulaC10H15F3O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC Name[(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate
SMILESCC1(C)[C@H]2CC[C@H]1[C@H](OS(=O)C(F)(F)F)C2
InChIInChI=1S/C10H15F3O2S/c1-9(2)6-3-4-7(9)8(5-6)15-16(14)10(11,12)13/h6-8H,3-5H2,1-2H3/t6-,7-,8+,16?/m0/s1
InChIKeyRVNQVCQOCPJLKK-UUTQTVQMSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate?
The IUPAC name of [(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate (CID 101257267) is [(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate.
What is the SMILES notation for [(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate?
The canonical SMILES for [(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate is CC1(C)[C@H]2CC[C@H]1[C@H](OS(=O)C(F)(F)F)C2.
What is the InChIKey of [(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate?
The InChIKey is RVNQVCQOCPJLKK-UUTQTVQMSA-N. The full InChI is InChI=1S/C10H15F3O2S/c1-9(2)6-3-4-7(9)8(5-6)15-16(14)10(11,12)13/h6-8H,3-5H2,1-2H3/t6-,7-,8+,16?/m0/s1.
What are the key properties of [(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate?
[(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate has a molecular weight of 256.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4S)-7,7-dimethyl-2-bicyclo[2.2.1]heptanyl] trifluoromethanesulfinate is sourced from PubChem (CID 101257267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).