(2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine

C10H20FNO — CID 177091664

IUPAC(2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OC(C)[C@@H]1[C@@H](F)CCN1C
InChIInChI=1S/C10H20FNO/c1-7(2)13-8(3)10-9(11)5-6-12(10)4/h7-10H,5-6H2,1-4H3/t8?,9-,10+/m0/s1
InChIKeyMHZZAQDVPXYZRM-CBMCFHRWSA-N
MW189.27 g/mol
LogP1.84
Rot. Bonds3

About (2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine

(2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine (PubChem CID 177091664) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name(2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
PubChem CID177091664
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine
SMILESCC(C)OC(C)[C@@H]1[C@@H](F)CCN1C
InChIInChI=1S/C10H20FNO/c1-7(2)13-8(3)10-9(11)5-6-12(10)4/h7-10H,5-6H2,1-4H3/t8?,9-,10+/m0/s1
InChIKeyMHZZAQDVPXYZRM-CBMCFHRWSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-3-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 168850357
(2R,3S)-2-[(1S)-1-ethoxyethyl]-3-fluoro-1-methylpyrrolidine
CID 168995661
(2R)-3-(difluoromethoxy)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 177009553
(2S,3R)-3-(difluoromethyl)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidine
CID 177217366
2-(3-fluoro-2-propan-2-ylpyrrolidin-1-yl)ethanol
CID 178107003
(2S,3R)-3-fluoro-1,2-dimethylpyrrolidine
CID 167399019
1-(1-cyclopropylethoxy)ethylcyclopropane
CID 23618436
(2S,4R)-4-fluoro-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine;methanol;(2S)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 172612732
(1R)-1,3-dimethyl-4-[(1S)-1-propan-2-yloxyethyl]-3-azabicyclo[3.1.0]hexane
CID 177010036
(3-fluoro-1-methylpyrrolidin-2-yl)methanol
CID 163598879
3-(difluoromethylidene)-1-methyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 176664400
ethane;(2S,3S)-2-[(1S)-1-methoxyethyl]-1-methylpyrrolidin-3-ol
CID 177009838

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine?
The IUPAC name of (2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine (CID 177091664) is (2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine.
What is the SMILES notation for (2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine?
The canonical SMILES for (2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine is CC(C)OC(C)[C@@H]1[C@@H](F)CCN1C.
What is the InChIKey of (2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine?
The InChIKey is MHZZAQDVPXYZRM-CBMCFHRWSA-N. The full InChI is InChI=1S/C10H20FNO/c1-7(2)13-8(3)10-9(11)5-6-12(10)4/h7-10H,5-6H2,1-4H3/t8?,9-,10+/m0/s1.
What are the key properties of (2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine?
(2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-fluoro-1-methyl-2-(1-propan-2-yloxyethyl)pyrrolidine is sourced from PubChem (CID 177091664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).