[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate

C11H19F3O2S — CID 11161606

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[S@@](=O)C(F)(F)F
InChIInChI=1S/C11H19F3O2S/c1-7(2)9-5-4-8(3)6-10(9)16-17(15)11(12,13)14/h7-10H,4-6H2,1-3H3/t8-,9+,10-,17-/m1/s1
InChIKeyZQBVGNHVNNEUSU-QIYPGXSJSA-N
MW272.33 g/mol
LogP3.65
Rot. Bonds3

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate (PubChem CID 11161606) has the molecular formula C11H19F3O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate
PubChem CID11161606
Molecular FormulaC11H19F3O2S
Molecular Weight272.33 g/mol
Exact Mass272.11
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[S@@](=O)C(F)(F)F
InChIInChI=1S/C11H19F3O2S/c1-7(2)9-5-4-8(3)6-10(9)16-17(15)11(12,13)14/h7-10H,4-6H2,1-3H3/t8-,9+,10-,17-/m1/s1
InChIKeyZQBVGNHVNNEUSU-QIYPGXSJSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (S)-ethanesulfinate
CID 178184208
[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2,2,2-trifluoroacetate
CID 26791163
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-(2,2,2-trifluoroacetyl)carbamate
CID 42335800
trans-(2R,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxy]-1-propan-2-ylcyclohexane
CID 137488514
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-iodobenzenesulfinate
CID 134935222
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyboronic acid
CID 99738331
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
2,2-difluoro-4-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxycarbonyloxypentanoate
CID 164747753
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-furan-2-sulfinate
CID 10978536
1-(5-methyl-2-propan-2-ylcyclohexyl)oxyethane-1,1-diol
CID 143659959

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate (CID 11161606) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[S@@](=O)C(F)(F)F.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate?
The InChIKey is ZQBVGNHVNNEUSU-QIYPGXSJSA-N. The full InChI is InChI=1S/C11H19F3O2S/c1-7(2)9-5-4-8(3)6-10(9)16-17(15)11(12,13)14/h7-10H,4-6H2,1-3H3/t8-,9+,10-,17-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate has a molecular weight of 272.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (R)-trifluoromethanesulfinate is sourced from PubChem (CID 11161606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).