2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine

C14H19F2N — CID 116840108

IUPAC2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
SMILESCc1ccc(C)c(C(F)(F)CC2CCCN2)c1
InChIInChI=1S/C14H19F2N/c1-10-5-6-11(2)13(8-10)14(15,16)9-12-4-3-7-17-12/h5-6,8,12,17H,3-4,7,9H2,1-2H3
InChIKeyRBVKYQASRHPXLU-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.54
Rot. Bonds3

About 2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine

2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine (PubChem CID 116840108) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
PubChem CID116840108
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
SMILESCc1ccc(C)c(C(F)(F)CC2CCCN2)c1
InChIInChI=1S/C14H19F2N/c1-10-5-6-11(2)13(8-10)14(15,16)9-12-4-3-7-17-12/h5-6,8,12,17H,3-4,7,9H2,1-2H3
InChIKeyRBVKYQASRHPXLU-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine
CID 116840148
2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine
CID 116840127
2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine
CID 116840169
2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine
CID 116840282
N-[(2,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603290
(2R)-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyrrolidine
CID 102820293
2-[2-methyl-4-(trifluoromethyl)phenyl]-1-piperidin-2-ylpropan-2-ol
CID 102751951
N-[(2,4-dimethylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208233
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[2-fluoro-3-(4-fluoro-2-methylphenyl)-2-methylpropyl]piperidine
CID 114350316
2-[2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)propyl]piperidine
CID 106882953

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine?
The IUPAC name of 2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine (CID 116840108) is 2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine?
The canonical SMILES for 2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine is Cc1ccc(C)c(C(F)(F)CC2CCCN2)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine?
The InChIKey is RBVKYQASRHPXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10-5-6-11(2)13(8-10)14(15,16)9-12-4-3-7-17-12/h5-6,8,12,17H,3-4,7,9H2,1-2H3.
What are the key properties of 2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine?
2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine has a molecular weight of 239.31 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine is sourced from PubChem (CID 116840108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).