2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine

C14H19ClFN — CID 102619043

IUPAC2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(Cc2cc(F)ccc2Cl)CCCN1
InChIInChI=1S/C14H19ClFN/c1-10(2)14(6-3-7-17-14)9-11-8-12(16)4-5-13(11)15/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyNICXLAGLYRPTPL-UHFFFAOYSA-N
MW255.76 g/mol
LogP3.80
Rot. Bonds3

About 2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine

2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine (PubChem CID 102619043) has the molecular formula C14H19ClFN and a molecular weight of 255.76 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
PubChem CID102619043
Molecular FormulaC14H19ClFN
Molecular Weight255.76 g/mol
Exact Mass255.12
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
SMILESCC(C)C1(Cc2cc(F)ccc2Cl)CCCN1
InChIInChI=1S/C14H19ClFN/c1-10(2)14(6-3-7-17-14)9-11-8-12(16)4-5-13(11)15/h4-5,8,10,17H,3,6-7,9H2,1-2H3
InChIKeyNICXLAGLYRPTPL-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.76
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,5-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468098
2-[(2,4-dichlorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66467195
2-[(2-chloro-3-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 112653822
2-[(2-chloro-5-fluorophenyl)methyl]-2-propylazepane
CID 102619096
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 102622142
2-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-propan-2-ylpyrrolidine
CID 104688570
2-[2-(2-chlorophenyl)ethyl]-2-propan-2-ylpyrrolidine
CID 117271523
2-[(2-fluorophenyl)methyl]-2-propan-2-ylazetidine
CID 115058741
1-[(2-chloro-5-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 102617560
1-[(2-chloro-5-fluorophenyl)methyl]-N-methylcyclopropan-1-amine
CID 83689412
3-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methylpropyl)azetidine
CID 102621650
2-[(3-bromophenyl)methyl]-2-propan-2-ylpyrrolidine
CID 66468325

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine (CID 102619043) is 2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine is CC(C)C1(Cc2cc(F)ccc2Cl)CCCN1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine?
The InChIKey is NICXLAGLYRPTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN/c1-10(2)14(6-3-7-17-14)9-11-8-12(16)4-5-13(11)15/h4-5,8,10,17H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine?
2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine has a molecular weight of 255.76 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methyl]-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 102619043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).