2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride

C11H18ClF3N2O2 — CID 162367737

IUPAC2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride
SMILESCl.O=C(N[C@H]1CCO[C@@H]1C1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2.ClH/c12-11(13,14)10(17)16-8-3-6-18-9(8)7-1-4-15-5-2-7;/h7-9,15H,1-6H2,(H,16,17);1H/t8-,9+;/m0./s1
InChIKeyXLHHSVYGJDGMII-OULXEKPRSA-N
MW302.72 g/mol
LogP1.24
Rot. Bonds2

About 2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride

2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride (PubChem CID 162367737) has the molecular formula C11H18ClF3N2O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride
PubChem CID162367737
Molecular FormulaC11H18ClF3N2O2
Molecular Weight302.72 g/mol
Exact Mass302.10
IUPAC Name2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride
SMILESCl.O=C(N[C@H]1CCO[C@@H]1C1CCNCC1)C(F)(F)F
InChIInChI=1S/C11H17F3N2O2.ClH/c12-11(13,14)10(17)16-8-3-6-18-9(8)7-1-4-15-5-2-7;/h7-9,15H,1-6H2,(H,16,17);1H/t8-,9+;/m0./s1
InChIKeyXLHHSVYGJDGMII-OULXEKPRSA-N
XLogP1.24
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(2S,3S)-2-piperidin-4-yloxolan-3-yl]acetamide
CID 124708692
2,2,2-trifluoro-N-[(2S,3R)-2-[1-(2-methylpropanoyl)piperidin-4-yl]oxolan-3-yl]acetamide
CID 126820323
N-(2-cyclopropyloxolan-3-yl)-2-(ethylamino)-2-methylpropanamide
CID 114119028
(2R,3S)-2-piperidin-4-yloxolane-3-carboxylic acid
CID 124710512
(2R,3R)-2-piperidin-4-yloxolane-3-carboxamide
CID 124708979
sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 161088064
N-[(2S,3R)-2-cyclopropyloxolan-3-yl]prop-2-enamide
CID 136588922
2,2,2-trifluoro-N-[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]acetamide
CID 97184037
2,2-dimethyl-N-[5-(trifluoromethyl)azepan-4-yl]propanamide
CID 165487381
N-(2-cyclopropyloxolan-3-yl)-2-methoxyacetamide
CID 103864240
(1S,2R,4R)-4-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 167721081
methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 118104467

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride (CID 162367737) is 2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride is Cl.O=C(N[C@H]1CCO[C@@H]1C1CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride?
The InChIKey is XLHHSVYGJDGMII-OULXEKPRSA-N. The full InChI is InChI=1S/C11H17F3N2O2.ClH/c12-11(13,14)10(17)16-8-3-6-18-9(8)7-1-4-15-5-2-7;/h7-9,15H,1-6H2,(H,16,17);1H/t8-,9+;/m0./s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride?
2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride has a molecular weight of 302.72 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R,3S)-2-piperidin-4-yloxolan-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 162367737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).