2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine

C13H17F2N — CID 83911133

IUPAC2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine
SMILESCC(Cc1ccc(F)cc1F)C1CCCN1
InChIInChI=1S/C13H17F2N/c1-9(13-3-2-6-16-13)7-10-4-5-11(14)8-12(10)15/h4-5,8-9,13,16H,2-3,6-7H2,1H3
InChIKeyQNDMAYZLAZGFDX-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.90
Rot. Bonds3

About 2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine

2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine (PubChem CID 83911133) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine.

Molecular Properties

Compound Name2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine
PubChem CID83911133
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine
SMILESCC(Cc1ccc(F)cc1F)C1CCCN1
InChIInChI=1S/C13H17F2N/c1-9(13-3-2-6-16-13)7-10-4-5-11(14)8-12(10)15/h4-5,8-9,13,16H,2-3,6-7H2,1H3
InChIKeyQNDMAYZLAZGFDX-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)-1-pyrrolidin-2-ylethanamine
CID 173158939
2-[1-(2-bromophenyl)propan-2-yl]pyrrolidine
CID 83913487
2-[2-(2-bromo-4-fluorophenyl)-1-fluoroethyl]pyrrolidine
CID 106640367
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106638289
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanol
CID 106634597
2-[1-(2-chloro-5-fluorophenyl)ethyl]pyrrolidine
CID 83911335
2-[1-(4-fluoro-2-prop-2-enylphenyl)ethyl]pyrrolidine
CID 145138586
2-(4-bromo-2-fluorophenyl)-1-piperidin-2-ylethanol
CID 106634576
1-(azepan-2-yl)-N-[(2,4-difluorophenyl)methyl]propan-2-amine
CID 79560149
1-cyclobutyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 64986277
1-cyclopropyl-2-(2,4-difluorophenyl)-N-methylethanamine
CID 62196245
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine?
The IUPAC name of 2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine (CID 83911133) is 2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine.
What is the SMILES notation for 2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine?
The canonical SMILES for 2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine is CC(Cc1ccc(F)cc1F)C1CCCN1.
What is the InChIKey of 2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine?
The InChIKey is QNDMAYZLAZGFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9(13-3-2-6-16-13)7-10-4-5-11(14)8-12(10)15/h4-5,8-9,13,16H,2-3,6-7H2,1H3.
What are the key properties of 2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine?
2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine has a molecular weight of 225.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-difluorophenyl)propan-2-yl]pyrrolidine is sourced from PubChem (CID 83911133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).