2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride

C11H14Cl2FN — CID 42956327

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride
SMILESCl.Fc1cccc(Cl)c1CC1CCCN1
InChIInChI=1S/C11H13ClFN.ClH/c12-10-4-1-5-11(13)9(10)7-8-3-2-6-14-8;/h1,4-5,8,14H,2-3,6-7H2;1H
InChIKeyREBMQIXDPWDKHN-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.20
Rot. Bonds2

About 2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride

2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride (PubChem CID 42956327) has the molecular formula C11H14Cl2FN and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride
PubChem CID42956327
Molecular FormulaC11H14Cl2FN
Molecular Weight250.14 g/mol
Exact Mass249.05
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride
SMILESCl.Fc1cccc(Cl)c1CC1CCCN1
InChIInChI=1S/C11H13ClFN.ClH/c12-10-4-1-5-11(13)9(10)7-8-3-2-6-14-8;/h1,4-5,8,14H,2-3,6-7H2;1H
InChIKeyREBMQIXDPWDKHN-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Chloro-6-fluorophenyl)ethan-1-amine
CID 2734094
3-(4-Chlorophenyl)-2-nortropene
CID 9859279
Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-
CID 3034945
p-Chloromethamphetamine
CID 3128
3-(4-Chlorophenyl)pyrrolidine
CID 129150
2-(2-chlorophenyl)-N-methylethanamine
CID 12351385
(1-(2-Chlorophenyl)ethyl)(methyl)amine
CID 16783514
2-(4-Chlorophenyl)pyrrolidine
CID 592391
2-(2-Chlorophenyl)pyrrolidine
CID 3719582
2-Chloroamphetamine hydrochloride
CID 20027460
(1-(4-Chlorophenyl)propan-2-yl)(ethyl)amine
CID 526656
N-(2-chloro-6-fluorobenzyl)-N-hexylamine
CID 1814789

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride (CID 42956327) is 2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride is Cl.Fc1cccc(Cl)c1CC1CCCN1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride?
The InChIKey is REBMQIXDPWDKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN.ClH/c12-10-4-1-5-11(13)9(10)7-8-3-2-6-14-8;/h1,4-5,8,14H,2-3,6-7H2;1H.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride?
2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride has a molecular weight of 250.14 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine;hydrochloride is sourced from PubChem (CID 42956327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).