(2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine

C10H19F2NO — CID 176664569

IUPAC(2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine
SMILESCCO[C@@H](C)[C@@H]1[C@@H](C(F)F)CCN1C
InChIInChI=1S/C10H19F2NO/c1-4-14-7(2)9-8(10(11)12)5-6-13(9)3/h7-10H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyYNSTXXPDMUBLOR-XHNCKOQMSA-N
MW207.26 g/mol
LogP2.00
Rot. Bonds4

About (2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine

(2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine (PubChem CID 176664569) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine
PubChem CID176664569
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine
SMILESCCO[C@@H](C)[C@@H]1[C@@H](C(F)F)CCN1C
InChIInChI=1S/C10H19F2NO/c1-4-14-7(2)9-8(10(11)12)5-6-13(9)3/h7-10H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyYNSTXXPDMUBLOR-XHNCKOQMSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-2-(methoxymethyl)-1,4-di(propan-2-yl)pyrrolidine
CID 58778841
(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 59611228
(4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 68089704
(2S,4S)-1,2-di(propan-2-yl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 68089705
(2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine
CID 89094451
2-(Methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615691
1-Ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615712
4-Fluoro-3-methoxy-1,2-di(propan-2-yl)pyrrolidine
CID 129229279
2-(2,2-Difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 130399562
2-(Methoxymethyl)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 130399588
4-Fluoro-3-methoxy-1-methyl-2-propan-2-ylpyrrolidine
CID 138601807
(2R)-1-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 140929377

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine?
The IUPAC name of (2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine (CID 176664569) is (2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine.
What is the SMILES notation for (2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine?
The canonical SMILES for (2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine is CCO[C@@H](C)[C@@H]1[C@@H](C(F)F)CCN1C.
What is the InChIKey of (2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine?
The InChIKey is YNSTXXPDMUBLOR-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-4-14-7(2)9-8(10(11)12)5-6-13(9)3/h7-10H,4-6H2,1-3H3/t7-,8-,9+/m0/s1.
What are the key properties of (2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine?
(2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine has a molecular weight of 207.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(difluoromethyl)-2-[(1S)-1-ethoxyethyl]-1-methylpyrrolidine is sourced from PubChem (CID 176664569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).