(2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine

C10H19F2NO — CID 169182175

IUPAC(2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine
SMILESCC(C)OC(C(F)F)[C@@H]1CCCN1C
InChIInChI=1S/C10H19F2NO/c1-7(2)14-9(10(11)12)8-5-4-6-13(8)3/h7-10H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyUMIJMALQGBTYFD-IENPIDJESA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds4

About (2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine

(2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine (PubChem CID 169182175) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine
PubChem CID169182175
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine
SMILESCC(C)OC(C(F)F)[C@@H]1CCCN1C
InChIInChI=1S/C10H19F2NO/c1-7(2)14-9(10(11)12)8-5-4-6-13(8)3/h7-10H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyUMIJMALQGBTYFD-IENPIDJESA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine?
The IUPAC name of (2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine (CID 169182175) is (2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine is CC(C)OC(C(F)F)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine?
The InChIKey is UMIJMALQGBTYFD-IENPIDJESA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)14-9(10(11)12)8-5-4-6-13(8)3/h7-10H,4-6H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine?
(2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-difluoro-1-propan-2-yloxyethyl)-1-methylpyrrolidine is sourced from PubChem (CID 169182175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).