(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine

C10H19F2NO — CID 176724696

IUPAC(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
SMILESCC(C)(C)O[C@@H](C(F)F)[C@@H]1CCCN1
InChIInChI=1S/C10H19F2NO/c1-10(2,3)14-8(9(11)12)7-5-4-6-13-7/h7-9,13H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyFVQAQGGTHRTZSS-JGVFFNPUSA-N
MW207.26 g/mol
LogP2.19
Rot. Bonds3

About (2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine

(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine (PubChem CID 176724696) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
PubChem CID176724696
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine
SMILESCC(C)(C)O[C@@H](C(F)F)[C@@H]1CCCN1
InChIInChI=1S/C10H19F2NO/c1-10(2,3)14-8(9(11)12)7-5-4-6-13-7/h7-9,13H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyFVQAQGGTHRTZSS-JGVFFNPUSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The IUPAC name of (2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine (CID 176724696) is (2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine.
What is the SMILES notation for (2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The canonical SMILES for (2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine is CC(C)(C)O[C@@H](C(F)F)[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
The InChIKey is FVQAQGGTHRTZSS-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-10(2,3)14-8(9(11)12)7-5-4-6-13-7/h7-9,13H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine?
(2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine has a molecular weight of 207.26 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-2,2-difluoro-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine is sourced from PubChem (CID 176724696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).