(3S)-3-ethyl-3-fluoropyrrolidine

C6H12FN — CID 129375311

IUPAC(3S)-3-ethyl-3-fluoropyrrolidine
SMILESCC[C@]1(F)CCNC1
InChIInChI=1S/C6H12FN/c1-2-6(7)3-4-8-5-6/h8H,2-5H2,1H3/t6-/m0/s1
InChIKeyZGRJHMKJQXTZME-LURJTMIESA-N
MW117.17 g/mol
LogP1.10
Rot. Bonds1

About (3S)-3-ethyl-3-fluoropyrrolidine

(3S)-3-ethyl-3-fluoropyrrolidine (PubChem CID 129375311) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is (3S)-3-ethyl-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3S)-3-ethyl-3-fluoropyrrolidine
PubChem CID129375311
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name(3S)-3-ethyl-3-fluoropyrrolidine
SMILESCC[C@]1(F)CCNC1
InChIInChI=1S/C6H12FN/c1-2-6(7)3-4-8-5-6/h8H,2-5H2,1H3/t6-/m0/s1
InChIKeyZGRJHMKJQXTZME-LURJTMIESA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyl-3-fluoropyrrolidine
CID 112564219
3-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 83815669
(3R)-3-fluoro-3-propylpiperidine
CID 89109872
3-fluoro-3-propylpiperidine
CID 83815245
3-fluoro-3-(3-methylsulfonylpropyl)pyrrolidine
CID 112564275
1,3-diethyl-5-[(3-fluoropyrrolidin-3-yl)methyl]pyrazole
CID 112564455
3-but-3-ynyl-3-fluoropyrrolidine
CID 112564424
[4-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]methanamine
CID 105461999
3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
CID 83821387
ethane;N-[(3-fluoropyrrolidin-3-yl)methyl]-2-methylpropanamide
CID 153399046
3-fluoro-3-(methoxymethyl)piperidine
CID 112562901
4-fluoro-4-(methylsulfanylmethyl)piperidine;hydrochloride
CID 157040671

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-3-fluoropyrrolidine?
The IUPAC name of (3S)-3-ethyl-3-fluoropyrrolidine (CID 129375311) is (3S)-3-ethyl-3-fluoropyrrolidine.
What is the SMILES notation for (3S)-3-ethyl-3-fluoropyrrolidine?
The canonical SMILES for (3S)-3-ethyl-3-fluoropyrrolidine is CC[C@]1(F)CCNC1.
What is the InChIKey of (3S)-3-ethyl-3-fluoropyrrolidine?
The InChIKey is ZGRJHMKJQXTZME-LURJTMIESA-N. The full InChI is InChI=1S/C6H12FN/c1-2-6(7)3-4-8-5-6/h8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-ethyl-3-fluoropyrrolidine?
(3S)-3-ethyl-3-fluoropyrrolidine has a molecular weight of 117.17 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-3-fluoropyrrolidine is sourced from PubChem (CID 129375311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).