(3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride

C6H13ClFN — CID 167714876

IUPAC(3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride
SMILESCC[C@@H]1CNC[C@@H]1F.Cl
InChIInChI=1S/C6H12FN.ClH/c1-2-5-3-8-4-6(5)7;/h5-6,8H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyIGFDKLHLMCLMHO-IBTYICNHSA-N
MW153.63 g/mol
LogP1.38
Rot. Bonds1

About (3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride

(3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride (PubChem CID 167714876) has the molecular formula C6H13ClFN and a molecular weight of 153.63 g/mol. Its IUPAC name is (3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride
PubChem CID167714876
Molecular FormulaC6H13ClFN
Molecular Weight153.63 g/mol
Exact Mass153.07
IUPAC Name(3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride
SMILESCC[C@@H]1CNC[C@@H]1F.Cl
InChIInChI=1S/C6H12FN.ClH/c1-2-5-3-8-4-6(5)7;/h5-6,8H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyIGFDKLHLMCLMHO-IBTYICNHSA-N
XLogP1.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.63
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride?
The IUPAC name of (3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride (CID 167714876) is (3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride.
What is the SMILES notation for (3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride?
The canonical SMILES for (3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride is CC[C@@H]1CNC[C@@H]1F.Cl.
What is the InChIKey of (3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride?
The InChIKey is IGFDKLHLMCLMHO-IBTYICNHSA-N. The full InChI is InChI=1S/C6H12FN.ClH/c1-2-5-3-8-4-6(5)7;/h5-6,8H,2-4H2,1H3;1H/t5-,6+;/m1./s1.
What are the key properties of (3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride?
(3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride has a molecular weight of 153.63 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethyl-4-fluoropyrrolidine;hydrochloride is sourced from PubChem (CID 167714876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).