(2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine

C9H18FN — CID 146374292

IUPAC(2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine
SMILESCC[C@@H]1[C@@H](F)CCN1C(C)C
InChIInChI=1S/C9H18FN/c1-4-9-8(10)5-6-11(9)7(2)3/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyUCCWAYFUPARMOX-DTWKUNHWSA-N
MW159.25 g/mol
LogP2.22
Rot. Bonds2

About (2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine

(2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine (PubChem CID 146374292) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine
PubChem CID146374292
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine
SMILESCC[C@@H]1[C@@H](F)CCN1C(C)C
InChIInChI=1S/C9H18FN/c1-4-9-8(10)5-6-11(9)7(2)3/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyUCCWAYFUPARMOX-DTWKUNHWSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-2-ethyl-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82406095
2-ethyl-1-propan-2-ylazetidine;propane
CID 163256433
2-ethyl-4-fluoro-1-methyl-3-propan-2-ylpiperidine
CID 178125240
2-(2-ethyl-1-propan-2-ylpyrrolidin-3-yl)acetic acid
CID 83847942
2-ethyl-3-(4-methyl-3-methylidenepentyl)-1-propan-2-ylpyrrolidine
CID 155036941
2-fluoro-1,3-di(propan-2-yl)imidazolidine
CID 70243177
2-ethyl-4-methyl-1-propan-2-ylpiperidine
CID 171506462
(2R)-1-propan-2-yl-2-propylazetidine
CID 167386397
(2R)-2-ethyl-3-propan-2-yl-1,3-oxazolidine
CID 92856287
(2S)-2-methyl-1-propan-2-ylazetidine
CID 118390770
(2S)-1-propan-2-yl-2-(trifluoromethyl)azetidine
CID 146615150
2-(2-ethyl-1-propan-2-ylpiperidin-3-yl)acetic acid
CID 83849048

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine?
The IUPAC name of (2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine (CID 146374292) is (2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine?
The canonical SMILES for (2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine is CC[C@@H]1[C@@H](F)CCN1C(C)C.
What is the InChIKey of (2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine?
The InChIKey is UCCWAYFUPARMOX-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18FN/c1-4-9-8(10)5-6-11(9)7(2)3/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine?
(2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-ethyl-3-fluoro-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 146374292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).