(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine

C6H11ClFN — CID 130667245

IUPAC(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
SMILESF[C@@H]1CCN(CCCl)C1
InChIInChI=1S/C6H11ClFN/c7-2-4-9-3-1-6(8)5-9/h6H,1-5H2/t6-/m1/s1
InChIKeyWSVXNYZQFALTHX-ZCFIWIBFSA-N
MW151.61 g/mol
LogP1.27
Rot. Bonds2

About (3R)-1-(2-chloroethyl)-3-fluoropyrrolidine

(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine (PubChem CID 130667245) has the molecular formula C6H11ClFN and a molecular weight of 151.61 g/mol. Its IUPAC name is (3R)-1-(2-chloroethyl)-3-fluoropyrrolidine.

Molecular Properties

Compound Name(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
PubChem CID130667245
Molecular FormulaC6H11ClFN
Molecular Weight151.61 g/mol
Exact Mass151.06
IUPAC Name(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
SMILESF[C@@H]1CCN(CCCl)C1
InChIInChI=1S/C6H11ClFN/c7-2-4-9-3-1-6(8)5-9/h6H,1-5H2/t6-/m1/s1
InChIKeyWSVXNYZQFALTHX-ZCFIWIBFSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.61
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
CID 63171000
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
potassium 3-(3-fluoropyrrolidin-1-yl)propan-1-olate
CID 142317678
1,3-bis(2-chloroethyl)pyrrolidine;hydrochloride
CID 69446979
(3S)-1-(2-chloroethyl)pyrrolidine-3-carboxylic acid
CID 121473496
5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
CID 45156784
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
2-(2-chloroethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;dihydrochloride
CID 159084845
3-fluoro-1-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 18180007
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloroethyl)-3-fluoropyrrolidine?
The IUPAC name of (3R)-1-(2-chloroethyl)-3-fluoropyrrolidine (CID 130667245) is (3R)-1-(2-chloroethyl)-3-fluoropyrrolidine.
What is the SMILES notation for (3R)-1-(2-chloroethyl)-3-fluoropyrrolidine?
The canonical SMILES for (3R)-1-(2-chloroethyl)-3-fluoropyrrolidine is F[C@@H]1CCN(CCCl)C1.
What is the InChIKey of (3R)-1-(2-chloroethyl)-3-fluoropyrrolidine?
The InChIKey is WSVXNYZQFALTHX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11ClFN/c7-2-4-9-3-1-6(8)5-9/h6H,1-5H2/t6-/m1/s1.
What are the key properties of (3R)-1-(2-chloroethyl)-3-fluoropyrrolidine?
(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine has a molecular weight of 151.61 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chloroethyl)-3-fluoropyrrolidine is sourced from PubChem (CID 130667245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).