2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine

C11H11F4N — CID 117116945

IUPAC2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
SMILESCC1(c2cc(F)c(F)c(F)c2F)CCCN1
InChIInChI=1S/C11H11F4N/c1-11(3-2-4-16-11)6-5-7(12)9(14)10(15)8(6)13/h5,16H,2-4H2,1H3
InChIKeyBWPXLEBWVYVLDG-UHFFFAOYSA-N
MW233.21 g/mol
LogP2.84
Rot. Bonds1

About 2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine

2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine (PubChem CID 117116945) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
PubChem CID117116945
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine
SMILESCC1(c2cc(F)c(F)c(F)c2F)CCCN1
InChIInChI=1S/C11H11F4N/c1-11(3-2-4-16-11)6-5-7(12)9(14)10(15)8(6)13/h5,16H,2-4H2,1H3
InChIKeyBWPXLEBWVYVLDG-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-2,4,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116949
2-(4-bromo-2,3,5-trifluorophenyl)-2-methylpyrrolidine
CID 117116947
4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol
CID 117303885
2-(2,5-difluoro-4-methylphenyl)-2-methylpyrrolidine
CID 117301641
6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117372312
2-(2,4-difluoro-5-methylphenyl)-2-methylpyrrolidine
CID 117301639
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117409093
2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
CID 117335365
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol
CID 117361379
2-(2-fluoro-5-methoxyphenyl)-2-methylpyrrolidine
CID 117298992
2-(3,4-difluoro-2-methoxyphenyl)-2-methylpyrrolidine
CID 117326742

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine?
The IUPAC name of 2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine (CID 117116945) is 2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine.
What is the SMILES notation for 2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine?
The canonical SMILES for 2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine is CC1(c2cc(F)c(F)c(F)c2F)CCCN1.
What is the InChIKey of 2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine?
The InChIKey is BWPXLEBWVYVLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c1-11(3-2-4-16-11)6-5-7(12)9(14)10(15)8(6)13/h5,16H,2-4H2,1H3.
What are the key properties of 2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine?
2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine has a molecular weight of 233.21 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,3,4,5-tetrafluorophenyl)pyrrolidine is sourced from PubChem (CID 117116945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).