2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine

C12H15ClFN — CID 105485071

IUPAC2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine
SMILESFC(CC1CCCN1)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClFN/c13-10-4-1-3-9(7-10)12(14)8-11-5-2-6-15-11/h1,3-4,7,11-12,15H,2,5-6,8H2
InChIKeyBSLDZFPGOGRBQJ-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.49
Rot. Bonds3

About 2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine

2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine (PubChem CID 105485071) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine
PubChem CID105485071
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine
SMILESFC(CC1CCCN1)c1cccc(Cl)c1
InChIInChI=1S/C12H15ClFN/c13-10-4-1-3-9(7-10)12(14)8-11-5-2-6-15-11/h1,3-4,7,11-12,15H,2,5-6,8H2
InChIKeyBSLDZFPGOGRBQJ-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-2-piperidin-2-ylethanol
CID 79559914
2-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514159
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
N-[1-(3-chlorophenyl)propyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598999
2-[2-(3-chlorophenyl)ethyl]pyrrolidine
CID 82077914
1-(3-chlorophenyl)-N-ethyl-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106622440
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
2-[2-(4-chlorophenoxy)-2-phenylethyl]pyrrolidine
CID 54547575
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
CID 116936043
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
N-(3-chlorophenyl)sulfanyl-1-pyrrolidin-2-ylmethanamine
CID 130322468

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine?
The IUPAC name of 2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine (CID 105485071) is 2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine?
The canonical SMILES for 2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine is FC(CC1CCCN1)c1cccc(Cl)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine?
The InChIKey is BSLDZFPGOGRBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c13-10-4-1-3-9(7-10)12(14)8-11-5-2-6-15-11/h1,3-4,7,11-12,15H,2,5-6,8H2.
What are the key properties of 2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine?
2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine has a molecular weight of 227.71 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-2-fluoroethyl]pyrrolidine is sourced from PubChem (CID 105485071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).