2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine

C11H13ClFN — CID 114489582

IUPAC2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
SMILESFc1c(Cl)cccc1CC1CCCN1
InChIInChI=1S/C11H13ClFN/c12-10-5-1-3-8(11(10)13)7-9-4-2-6-14-9/h1,3,5,9,14H,2,4,6-7H2
InChIKeyDOZRWZLVIYFMGA-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.77
Rot. Bonds2

About 2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine

2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine (PubChem CID 114489582) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
PubChem CID114489582
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
SMILESFc1c(Cl)cccc1CC1CCCN1
InChIInChI=1S/C11H13ClFN/c12-10-5-1-3-8(11(10)13)7-9-4-2-6-14-9/h1,3,5,9,14H,2,4,6-7H2
InChIKeyDOZRWZLVIYFMGA-UHFFFAOYSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
N-[(3-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 106622977
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
(2R)-2-[(3-chloro-2-fluorophenoxy)methyl]pyrrolidine
CID 102820264
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
2-[[3-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperidine
CID 117449038
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912
(3S)-3-[(3-chloro-2-fluorophenyl)methyl]-1,2-oxazolidine
CID 155128144
6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117372352

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine (CID 114489582) is 2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine is Fc1c(Cl)cccc1CC1CCCN1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine?
The InChIKey is DOZRWZLVIYFMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-10-5-1-3-8(11(10)13)7-9-4-2-6-14-9/h1,3,5,9,14H,2,4,6-7H2.
What are the key properties of 2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine?
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine has a molecular weight of 213.68 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 114489582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).