(1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol

C12H20F3NO4S — CID 97321856

IUPAC(1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol
SMILESO=S(=O)(C[C@@H]1CCOC1)N1CCC([C@@H](O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO4S/c13-12(14,15)11(17)10-1-4-16(5-2-10)21(18,19)8-9-3-6-20-7-9/h9-11,17H,1-8H2/t9-,11-/m1/s1
InChIKeyMFAUHHAIGABZKM-MWLCHTKSSA-N
MW331.36 g/mol
LogP0.99
Rot. Bonds4

About (1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol

(1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol (PubChem CID 97321856) has the molecular formula C12H20F3NO4S and a molecular weight of 331.36 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol
PubChem CID97321856
Molecular FormulaC12H20F3NO4S
Molecular Weight331.36 g/mol
Exact Mass331.11
IUPAC Name(1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol
SMILESO=S(=O)(C[C@@H]1CCOC1)N1CCC([C@@H](O)C(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO4S/c13-12(14,15)11(17)10-1-4-16(5-2-10)21(18,19)8-9-3-6-20-7-9/h9-11,17H,1-8H2/t9-,11-/m1/s1
InChIKeyMFAUHHAIGABZKM-MWLCHTKSSA-N
XLogP0.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol with MolForge

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Related Compounds

2,2,2-Trifluoro-1-[1-(oxolan-3-ylmethylsulfonyl)piperidin-4-yl]ethanol
CID 75427686
4-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylbutan-1-ol
CID 65732431
3-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylpropan-1-ol
CID 65732813
2,2,2-Trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 71916120
[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-yl]methanol
CID 83057919
(1S)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 97098892
(1R)-2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
CID 97098893
(1S)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol
CID 97321855
(1S)-2,2,2-trifluoro-1-[1-[[(3S)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol
CID 97321857
(1R)-2,2,2-trifluoro-1-[1-[[(3S)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol
CID 97321858
1-[1-(4,4,4-Trifluorobutylsulfonyl)piperidin-4-yl]ethanol
CID 103943153
1-(1-Ethylsulfonylpiperidin-4-yl)-2,2,2-trifluoroethanol
CID 112316779

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol?
The IUPAC name of (1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol (CID 97321856) is (1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol is O=S(=O)(C[C@@H]1CCOC1)N1CCC([C@@H](O)C(F)(F)F)CC1.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol?
The InChIKey is MFAUHHAIGABZKM-MWLCHTKSSA-N. The full InChI is InChI=1S/C12H20F3NO4S/c13-12(14,15)11(17)10-1-4-16(5-2-10)21(18,19)8-9-3-6-20-7-9/h9-11,17H,1-8H2/t9-,11-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol?
(1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol has a molecular weight of 331.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-[1-[[(3R)-oxolan-3-yl]methylsulfonyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 97321856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).