2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine

C16H23F2N — CID 116840148

IUPAC2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine
SMILESCc1ccc(C(C)C)cc1C(F)(F)CC1CCCN1
InChIInChI=1S/C16H23F2N/c1-11(2)13-7-6-12(3)15(9-13)16(17,18)10-14-5-4-8-19-14/h6-7,9,11,14,19H,4-5,8,10H2,1-3H3
InChIKeyOPUMPQLSPSLDSH-UHFFFAOYSA-N
MW267.36 g/mol
LogP4.35
Rot. Bonds4

About 2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine

2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine (PubChem CID 116840148) has the molecular formula C16H23F2N and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine
PubChem CID116840148
Molecular FormulaC16H23F2N
Molecular Weight267.36 g/mol
Exact Mass267.18
IUPAC Name2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine
SMILESCc1ccc(C(C)C)cc1C(F)(F)CC1CCCN1
InChIInChI=1S/C16H23F2N/c1-11(2)13-7-6-12(3)15(9-13)16(17,18)10-14-5-4-8-19-14/h6-7,9,11,14,19H,4-5,8,10H2,1-3H3
InChIKeyOPUMPQLSPSLDSH-UHFFFAOYSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840108
2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine
CID 116840127
2-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495630
N-[(2-methyl-5-propan-2-ylphenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 115208280
2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine
CID 116840169
1-(2-methyl-5-propan-2-ylphenyl)-2-piperidin-2-ylethanone
CID 116917151
2-(1,1-difluoro-2-methylpropyl)-1-methyl-4-propan-2-ylbenzene
CID 116841440
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine
CID 116840282
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605238

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine?
The IUPAC name of 2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine (CID 116840148) is 2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine?
The canonical SMILES for 2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine is Cc1ccc(C(C)C)cc1C(F)(F)CC1CCCN1.
What is the InChIKey of 2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine?
The InChIKey is OPUMPQLSPSLDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N/c1-11(2)13-7-6-12(3)15(9-13)16(17,18)10-14-5-4-8-19-14/h6-7,9,11,14,19H,4-5,8,10H2,1-3H3.
What are the key properties of 2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine?
2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine has a molecular weight of 267.36 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 116840148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).