(2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine

C10H19F2NO2 — CID 177009917

IUPAC(2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine
SMILESCCN1CC[C@H](OC(F)F)[C@H]1[C@H](C)OC
InChIInChI=1S/C10H19F2NO2/c1-4-13-6-5-8(15-10(11)12)9(13)7(2)14-3/h7-10H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyOTPSISXBCMKDAE-XHNCKOQMSA-N
MW223.26 g/mol
LogP1.72
Rot. Bonds5

About (2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine

(2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine (PubChem CID 177009917) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is (2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine.

Molecular Properties

Compound Name(2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine
PubChem CID177009917
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name(2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine
SMILESCCN1CC[C@H](OC(F)F)[C@H]1[C@H](C)OC
InChIInChI=1S/C10H19F2NO2/c1-4-13-6-5-8(15-10(11)12)9(13)7(2)14-3/h7-10H,4-6H2,1-3H3/t7-,8-,9+/m0/s1
InChIKeyOTPSISXBCMKDAE-XHNCKOQMSA-N
XLogP1.72
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-ethyl-3-methoxy-2-[(1S)-1-methoxyethyl]pyrrolidine
CID 177009798
(2R,3S)-3-(difluoromethoxy)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine;ethane
CID 177009607
(2R,3S)-3-cyclopropyloxy-1-ethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009745
(2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009553
5-(difluoromethyl)-1-ethyl-2-propan-2-ylazepane
CID 175613640
butane;1-ethyl-3-methyl-2-propan-2-ylpyrrolidine;3-methoxy-1-methyl-2-propan-2-ylpyrrolidine;propane
CID 178106224
(2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine
CID 177217366
(2S,4S)-1-ethyl-2-methyl-4-propan-2-yloxypiperidine
CID 167001762
1-ethyl-2-(1-methoxyethyl)-4-methylpiperazine
CID 175342115
(3S,4R)-4-(difluoromethoxy)-1-propan-2-ylpiperidin-3-amine
CID 129231191
ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane
CID 177009879
3-(difluoromethoxy)-1-ethylpiperidine
CID 130226338

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine?
The IUPAC name of (2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine (CID 177009917) is (2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine.
What is the SMILES notation for (2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine?
The canonical SMILES for (2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine is CCN1CC[C@H](OC(F)F)[C@H]1[C@H](C)OC.
What is the InChIKey of (2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine?
The InChIKey is OTPSISXBCMKDAE-XHNCKOQMSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-4-13-6-5-8(15-10(11)12)9(13)7(2)14-3/h7-10H,4-6H2,1-3H3/t7-,8-,9+/m0/s1.
What are the key properties of (2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine?
(2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine has a molecular weight of 223.26 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(difluoromethoxy)-1-ethyl-2-[(1S)-1-methoxyethyl]pyrrolidine is sourced from PubChem (CID 177009917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).