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

C11H12ClF2N — CID 112655179

IUPAC3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine
SMILESFc1cccc(CC2(F)CCNC2)c1Cl
InChIInChI=1S/C11H12ClF2N/c12-10-8(2-1-3-9(10)13)6-11(14)4-5-15-7-11/h1-3,15H,4-7H2
InChIKeyUCRQTDNPFKWSQH-UHFFFAOYSA-N
MW231.67 g/mol
LogP2.72
Rot. Bonds2

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

3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine (PubChem CID 112655179) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine
PubChem CID112655179
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine
SMILESFc1cccc(CC2(F)CCNC2)c1Cl
InChIInChI=1S/C11H12ClF2N/c12-10-8(2-1-3-9(10)13)6-11(14)4-5-15-7-11/h1-3,15H,4-7H2
InChIKeyUCRQTDNPFKWSQH-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-3-(naphthalen-1-ylmethyl)pyrrolidine
CID 112564286
3-[(2-chloro-3-fluorophenyl)methyl]-3-methylazetidine
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3-[(4-chlorophenyl)methyl]-3-fluoropyrrolidine
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3-[(2-chloro-3-fluorophenyl)methyl]-3-fluorocyclobutan-1-amine
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N-[(2-chloro-3-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423886
3-benzyl-3-[(2-chloro-3-fluorophenyl)methyl]azetidine
CID 115984672
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
[1-[(2-chloro-3-fluorophenyl)methyl]cyclopropyl]methanamine
CID 112654232
4-[(5-chloro-2-fluorophenyl)methyl]-4-fluoropiperidine
CID 103052130
4-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperidin-4-ol
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1-[2-[(3-fluoropyrrolidin-3-yl)methyl]phenyl]ethanone
CID 105477596
2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 112653822

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine?
The IUPAC name of 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine (CID 112655179) is 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine.
What is the SMILES notation for 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine?
The canonical SMILES for 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine is Fc1cccc(CC2(F)CCNC2)c1Cl.
What is the InChIKey of 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine?
The InChIKey is UCRQTDNPFKWSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c12-10-8(2-1-3-9(10)13)6-11(14)4-5-15-7-11/h1-3,15H,4-7H2.
What are the key properties of 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine?
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine has a molecular weight of 231.67 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine is sourced from PubChem (CID 112655179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).