2-(2,4-difluorophenyl)pyrrolidin-1-amine

C10H12F2N2 — CID 83531554

IUPAC2-(2,4-difluorophenyl)pyrrolidin-1-amine
SMILESNN1CCCC1c1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2/c11-7-3-4-8(9(12)6-7)10-2-1-5-14(10)13/h3-4,6,10H,1-2,5,13H2
InChIKeyZTBGIBQOZYMSFP-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.98
Rot. Bonds1

About 2-(2,4-difluorophenyl)pyrrolidin-1-amine

2-(2,4-difluorophenyl)pyrrolidin-1-amine (PubChem CID 83531554) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)pyrrolidin-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)pyrrolidin-1-amine
PubChem CID83531554
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-(2,4-difluorophenyl)pyrrolidin-1-amine
SMILESNN1CCCC1c1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2/c11-7-3-4-8(9(12)6-7)10-2-1-5-14(10)13/h3-4,6,10H,1-2,5,13H2
InChIKeyZTBGIBQOZYMSFP-UHFFFAOYSA-N
XLogP1.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(2,4-difluorophenyl)pyrrolidine-1-carboxylate
CID 118337502
(2S)-2-(2,5-difluorophenyl)-1-methylpyrrolidine
CID 139526642
[2-(2,4-difluorophenyl)piperidin-1-yl]-(1,1-dioxothian-4-yl)methanone
CID 158337331
(2R)-2-(2,5-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 166802320
1-amino-3-(2,5-difluorophenyl)piperidin-2-one
CID 66839492
(2R)-2-(6-bromo-5-fluoro-3-pyridinyl)pyrrolidin-1-amine
CID 141031304
[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-(6-methoxypyrimidin-4-yl)methanone
CID 138023713
4-(2,4-difluorophenyl)-1-propan-2-ylpiperidine
CID 59361746
3-[2-[2-(2,4-difluorophenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methylpyran-4-one
CID 138023714
(3R)-3-(2,4-difluorophenyl)-1-propan-2-ylpyrrolidine
CID 142165697
1-chloro-3-(2,4-difluorophenyl)cycloheptane
CID 64509762
[2-(2-bromo-4-fluorophenyl)-1-ethylpiperidin-3-yl]methanamine
CID 114060907

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)pyrrolidin-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)pyrrolidin-1-amine (CID 83531554) is 2-(2,4-difluorophenyl)pyrrolidin-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)pyrrolidin-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)pyrrolidin-1-amine is NN1CCCC1c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)pyrrolidin-1-amine?
The InChIKey is ZTBGIBQOZYMSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-7-3-4-8(9(12)6-7)10-2-1-5-14(10)13/h3-4,6,10H,1-2,5,13H2.
What are the key properties of 2-(2,4-difluorophenyl)pyrrolidin-1-amine?
2-(2,4-difluorophenyl)pyrrolidin-1-amine has a molecular weight of 198.22 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)pyrrolidin-1-amine is sourced from PubChem (CID 83531554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).