trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide

C11H19F3N2O2 — CID 99632243

IUPACtrans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)[C@@H]1CCCC[C@H]1NC[C@H](O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-15-10(18)7-4-2-3-5-8(7)16-6-9(17)11(12,13)14/h7-9,16-17H,2-6H2,1H3,(H,15,18)/t7-,8-,9+/m1/s1
InChIKeyJPJXXHPIWOTLFD-HLTSFMKQSA-N
MW268.28 g/mol
LogP0.80
Rot. Bonds4

About trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide

trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide (PubChem CID 99632243) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide
PubChem CID99632243
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Nametrans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide
SMILESCNC(=O)[C@@H]1CCCC[C@H]1NC[C@H](O)C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-15-10(18)7-4-2-3-5-8(7)16-6-9(17)11(12,13)14/h7-9,16-17H,2-6H2,1H3,(H,15,18)/t7-,8-,9+/m1/s1
InChIKeyJPJXXHPIWOTLFD-HLTSFMKQSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide (CID 99632243) is trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide is CNC(=O)[C@@H]1CCCC[C@H]1NC[C@H](O)C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide?
The InChIKey is JPJXXHPIWOTLFD-HLTSFMKQSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-15-10(18)7-4-2-3-5-8(7)16-6-9(17)11(12,13)14/h7-9,16-17H,2-6H2,1H3,(H,15,18)/t7-,8-,9+/m1/s1.
What are the key properties of trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide?
trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methyl-2-[[(2S)-3,3,3-trifluoro-2-hydroxypropyl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 99632243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).