(2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one

C17H20F3NO2 — CID 10592299

IUPAC(2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1C(C)=CCC[C@H]1C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H20F3NO2/c1-12-8-7-9-13(2)21(12)15(22)16(23-3,17(18,19)20)14-10-5-4-6-11-14/h4-6,8,10-11,13H,7,9H2,1-3H3/t13-,16-/m1/s1
InChIKeyHNMAWQDFAUROGE-CZUORRHYSA-N
MW327.35 g/mol
LogP4.01
Rot. Bonds3

About (2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one

(2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one (PubChem CID 10592299) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is (2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
PubChem CID10592299
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name(2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1C(C)=CCC[C@H]1C)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H20F3NO2/c1-12-8-7-9-13(2)21(12)15(22)16(23-3,17(18,19)20)14-10-5-4-6-11-14/h4-6,8,10-11,13H,7,9H2,1-3H3/t13-,16-/m1/s1
InChIKeyHNMAWQDFAUROGE-CZUORRHYSA-N
XLogP4.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
Benzilamide, N-ethyl-N-(1-methyl-1,2,3,6-tetrahydro-4-pyridyl)methyl-, hydrochloride
CID 24834801
4-Methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one
CID 10634995
methyl (2S)-4-fluoro-4-methyl-2-[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]amino]pentanoate
CID 12167159
(2R)-3,3,3-trifluoro-2-methoxy-N-(4-oxotridecan-3-yl)-2-phenylpropanamide
CID 44216791
(2R)-1-[(2S)-2-benzyl-2-methyl-4,4-diphenylpyrrolidin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one
CID 56932060
3,3,3-trifluoro-N-(4-fluorophenyl)-2-methoxy-N-methyl-2-phenylpropanamide
CID 129834118
3,3,3-trifluoro-2-methoxy-N-methyl-N,2-diphenylpropanamide
CID 129834119
3,3,3-trifluoro-2-methoxy-N-methyl-2-phenyl-N-(p-tolyl)propanamide
CID 129834133
(3aR,7aR)-3-[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one
CID 134863986
(2R)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-[(2R)-2-[(S)-phenyl-tri(propan-2-yl)silyloxymethyl]piperidin-1-yl]propan-1-one
CID 134970688

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?
The IUPAC name of (2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one (CID 10592299) is (2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?
The canonical SMILES for (2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one is CO[C@@](C(=O)N1C(C)=CCC[C@H]1C)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?
The InChIKey is HNMAWQDFAUROGE-CZUORRHYSA-N. The full InChI is InChI=1S/C17H20F3NO2/c1-12-8-7-9-13(2)21(12)15(22)16(23-3,17(18,19)20)14-10-5-4-6-11-14/h4-6,8,10-11,13H,7,9H2,1-3H3/t13-,16-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one?
(2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one has a molecular weight of 327.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2,6-dimethyl-3,4-dihydro-2H-pyridin-1-yl]-3,3,3-trifluoro-2-methoxy-2-phenylpropan-1-one is sourced from PubChem (CID 10592299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).