(2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol

C16H22F3NO3 — CID 11559036

IUPAC(2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol
SMILESCCO[C@@H]1C[C@H](N[C@H](C)c2ccccc2)[C@H](O)[C@H](C(F)(F)F)O1
InChIInChI=1S/C16H22F3NO3/c1-3-22-13-9-12(14(21)15(23-13)16(17,18)19)20-10(2)11-7-5-4-6-8-11/h4-8,10,12-15,20-21H,3,9H2,1-2H3/t10-,12+,13+,14+,15-/m1/s1
InChIKeyWHNCEKBEXNQPAV-QPGZIWCOSA-N
MW333.35 g/mol
LogP2.78
Rot. Bonds5

About (2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol

(2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol (PubChem CID 11559036) has the molecular formula C16H22F3NO3 and a molecular weight of 333.35 g/mol. Its IUPAC name is (2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol
PubChem CID11559036
Molecular FormulaC16H22F3NO3
Molecular Weight333.35 g/mol
Exact Mass333.16
IUPAC Name(2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol
SMILESCCO[C@@H]1C[C@H](N[C@H](C)c2ccccc2)[C@H](O)[C@H](C(F)(F)F)O1
InChIInChI=1S/C16H22F3NO3/c1-3-22-13-9-12(14(21)15(23-13)16(17,18)19)20-10(2)11-7-5-4-6-8-11/h4-8,10,12-15,20-21H,3,9H2,1-2H3/t10-,12+,13+,14+,15-/m1/s1
InChIKeyWHNCEKBEXNQPAV-QPGZIWCOSA-N
XLogP2.78
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol with MolForge

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Related Compounds

(5RS,6SR)-2,2-dimethyl-6-{[(1S)-1-phenylethyl]amino}-1,3-dioxepan-5-ol
CID 58158434
1-Benzylamino-3-(2,2,7,7-tetramethyl-tetrahydro-bis[1,3]dioxolo[4,5-b
CID 516652
(1S,2S,3S,4R,5R)-2-[(4-fluorophenyl)methylamino]-4-(2-methoxyethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 25314712
N-[(2R,3R,4S,6S)-6-ethoxy-3-hydroxy-2-(trifluoromethyl)oxan-4-yl]-2,2,2-trifluoro-N-[(1R)-1-phenylethyl]acetamide
CID 11697647
(2R,3S,5S)-2-[(benzylamino)methyl]-6-methoxyoxane-3,4,5-triol
CID 72836876
(2R)-2-phenyl-2-[[(2R)-1,1,1-trifluoro-3-(2-methyl-1,3-dioxan-2-yl)propan-2-yl]amino]ethanol
CID 24950982
1-Deoxy-alpha-D-gluco-hept-2-ulopyranosyl-(2A(R)1)-2-(4-fluorobenzylamino)-2-deoxy-alpha-D-glucopyranoside trifluoroacetic acid salt
CID 49873671
(Z)-1,3,3,3-tetrafluoro-2-(oxan-2-yloxy)-N-[(1R)-1-phenylethyl]prop-1-en-1-amine
CID 134920831
(2R)-2-[(R)-(benzylamino)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3,3,3-trifluoropropan-1-ol
CID 134931243
(5R,6S)-2,2-dimethyl-6-[[(1R)-1-phenylethyl]amino]-1,3-dioxepan-5-ol
CID 9838194
N-Benzyllactosamine
CID 129653504
(1S,2S,3S,4R,5R)-2-(benzylamino)-4-(2-methoxyethylamino)-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 28960394

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol?
The IUPAC name of (2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol (CID 11559036) is (2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol.
What is the SMILES notation for (2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol?
The canonical SMILES for (2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol is CCO[C@@H]1C[C@H](N[C@H](C)c2ccccc2)[C@H](O)[C@H](C(F)(F)F)O1.
What is the InChIKey of (2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol?
The InChIKey is WHNCEKBEXNQPAV-QPGZIWCOSA-N. The full InChI is InChI=1S/C16H22F3NO3/c1-3-22-13-9-12(14(21)15(23-13)16(17,18)19)20-10(2)11-7-5-4-6-8-11/h4-8,10,12-15,20-21H,3,9H2,1-2H3/t10-,12+,13+,14+,15-/m1/s1.
What are the key properties of (2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol?
(2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol has a molecular weight of 333.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,6S)-6-ethoxy-4-[[(1R)-1-phenylethyl]amino]-2-(trifluoromethyl)oxan-3-ol is sourced from PubChem (CID 11559036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).