2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine

C13H17ClFN — CID 117356661

IUPAC2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine
SMILESCCc1cc(CC2CCCN2)cc(Cl)c1F
InChIInChI=1S/C13H17ClFN/c1-2-10-6-9(8-12(14)13(10)15)7-11-4-3-5-16-11/h6,8,11,16H,2-5,7H2,1H3
InChIKeyGYDPQYFCSAKKIX-UHFFFAOYSA-N
MW241.74 g/mol
LogP3.34
Rot. Bonds3

About 2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine

2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine (PubChem CID 117356661) has the molecular formula C13H17ClFN and a molecular weight of 241.74 g/mol. Its IUPAC name is 2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine
PubChem CID117356661
Molecular FormulaC13H17ClFN
Molecular Weight241.74 g/mol
Exact Mass241.10
IUPAC Name2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine
SMILESCCc1cc(CC2CCCN2)cc(Cl)c1F
InChIInChI=1S/C13H17ClFN/c1-2-10-6-9(8-12(14)13(10)15)7-11-4-3-5-16-11/h6,8,11,16H,2-5,7H2,1H3
InChIKeyGYDPQYFCSAKKIX-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.74
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 117437129
2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 104688006
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
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2-[[3-chloro-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117352079
2-[(3-chloro-5-methylphenyl)methyl]piperidine
CID 84688929
2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
3-chloro-5-(pyrrolidin-2-ylmethyl)aniline
CID 84678128
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912
2-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]pyrrolidine
CID 117432063
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]pyrrolidine
CID 104687986

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine (CID 117356661) is 2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine is CCc1cc(CC2CCCN2)cc(Cl)c1F.
What is the InChIKey of 2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine?
The InChIKey is GYDPQYFCSAKKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFN/c1-2-10-6-9(8-12(14)13(10)15)7-11-4-3-5-16-11/h6,8,11,16H,2-5,7H2,1H3.
What are the key properties of 2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine?
2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine has a molecular weight of 241.74 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-5-ethyl-4-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 117356661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).