(2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

C17H21F3N2O4 — CID 171557355

IUPAC(2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC=C1CCCN1C[C@H]1OC[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H21F3N2O4/c1-10-4-3-7-22(10)8-11-15(23)16(24)12(9-25-11)26-14-6-2-5-13(21-14)17(18,19)20/h2,5-6,11-12,15-16,23-24H,1,3-4,7-9H2/t11-,12+,15+,16-/m1/s1
InChIKeyQDWVXEYBVNDDFA-GUYJKWIASA-N
MW374.36 g/mol
LogP1.58
Rot. Bonds4

About (2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol

(2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (PubChem CID 171557355) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is (2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
PubChem CID171557355
Molecular FormulaC17H21F3N2O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC Name(2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol
SMILESC=C1CCCN1C[C@H]1OC[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C17H21F3N2O4/c1-10-4-3-7-22(10)8-11-15(23)16(24)12(9-25-11)26-14-6-2-5-13(21-14)17(18,19)20/h2,5-6,11-12,15-16,23-24H,1,3-4,7-9H2/t11-,12+,15+,16-/m1/s1
InChIKeyQDWVXEYBVNDDFA-GUYJKWIASA-N
XLogP1.58
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol with MolForge

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Related Compounds

(6R)-6-[(6-methyl-2-pyridinyl)oxy]-4-(oxan-4-yl)-1,4-oxazepane
CID 75536864
4-[2-[[6-(Trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine
CID 172433323
1,4-Dimethyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]piperazine
CID 172434078
N-methyl-N-(2-((6-(trifluoromethyl)pyridin-2-yl)oxy)ethyl)propan-1-amine
CID 139211020
2-((6-(Trifluoromethyl)pyridin-2-yl)oxy)ethan-1-ol
CID 84596667
8-Methyl-3-{[6-(trifluoromethyl)pyridin-2-yl]oxy}-8-azabicyclo[3.2.1]octane
CID 110188167
9-[(6-Methoxy-2-pyridinyl)methyl]-7-methyl-2,6-dioxa-9-azaspiro[4.5]decane
CID 122139662
3,3,3-trifluoro-1-[(3S)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 129417643
1,1,1-Trifluoro-3-[(3-phenoxycyclohexyl)-[[6-(trifluoromethyl)-2-pyridinyl]methyl]amino]propan-2-ol
CID 10276450
1,1,1-Trifluoro-3-[(6-phenoxy-2-pyridinyl)methoxy]-2-(trifluoromethoxy)propan-2-ol
CID 19753530
6-(fluoromethyl)-2,3-bis[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54041770
(6-Trifluoromethyl-2,3-dihydro[1,4]dioxino[2,3-b]pyridine-2-yl)methanol
CID 66718751

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The IUPAC name of (2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol (CID 171557355) is (2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is C=C1CCCN1C[C@H]1OC[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
The InChIKey is QDWVXEYBVNDDFA-GUYJKWIASA-N. The full InChI is InChI=1S/C17H21F3N2O4/c1-10-4-3-7-22(10)8-11-15(23)16(24)12(9-25-11)26-14-6-2-5-13(21-14)17(18,19)20/h2,5-6,11-12,15-16,23-24H,1,3-4,7-9H2/t11-,12+,15+,16-/m1/s1.
What are the key properties of (2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol?
(2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol has a molecular weight of 374.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5S)-2-[(2-methylidenepyrrolidin-1-yl)methyl]-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]oxane-3,4-diol is sourced from PubChem (CID 171557355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).