2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine

C13H15F5N2O — CID 157032703

IUPAC2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESCC(C)N1C[C@H](Oc2ccc(C(F)(F)F)cn2)C(F)(F)C1
InChIInChI=1S/C13H15F5N2O/c1-8(2)20-6-10(12(14,15)7-20)21-11-4-3-9(5-19-11)13(16,17)18/h3-5,8,10H,6-7H2,1-2H3/t10-/m0/s1
InChIKeyFQXDEJAEKSBVFI-JTQLQIEISA-N
MW310.27 g/mol
LogP3.21
Rot. Bonds3

About 2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine

2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine (PubChem CID 157032703) has the molecular formula C13H15F5N2O and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
PubChem CID157032703
Molecular FormulaC13H15F5N2O
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine
SMILESCC(C)N1C[C@H](Oc2ccc(C(F)(F)F)cn2)C(F)(F)C1
InChIInChI=1S/C13H15F5N2O/c1-8(2)20-6-10(12(14,15)7-20)21-11-4-3-9(5-19-11)13(16,17)18/h3-5,8,10H,6-7H2,1-2H3/t10-/m0/s1
InChIKeyFQXDEJAEKSBVFI-JTQLQIEISA-N
XLogP3.21
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-propan-2-yl-7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-5-azaspiro[2.4]heptane
CID 157032861
4-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-2-(trifluoromethyl)pyrimidine
CID 157032640
2-[(3-fluoro-1-propan-2-ylazetidin-3-yl)methoxy]-5-(trifluoromethyl)pyridine
CID 166826439
4-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)oxybenzonitrile
CID 157032281
5-[8-[(4R)-3,3-difluoro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-6-yl]-1,3-diazinane-2,4-dione
CID 171368747
2-(1-cyclopropylsulfonylazetidin-3-yl)oxy-5-(trifluoromethyl)pyridine
CID 122247778
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 61208136
2-(2-methylpentoxy)-5-(trifluoromethyl)pyridine
CID 162563286
2-methylsulfanyloxy-5-(trifluoromethyl)pyridine
CID 129204089
N-(2-methoxyphenyl)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carboxamide
CID 122247691
N-(1-propan-2-ylpiperidin-4-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24532478
1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine (CID 157032703) is 2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine is CC(C)N1C[C@H](Oc2ccc(C(F)(F)F)cn2)C(F)(F)C1.
What is the InChIKey of 2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
The InChIKey is FQXDEJAEKSBVFI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H15F5N2O/c1-8(2)20-6-10(12(14,15)7-20)21-11-4-3-9(5-19-11)13(16,17)18/h3-5,8,10H,6-7H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine?
2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine has a molecular weight of 310.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl]oxy-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 157032703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).