propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate

C9H15F2NO2 — CID 177327283

IUPACpropan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CC(F)(F)CC1C
InChIInChI=1S/C9H15F2NO2/c1-6(2)14-8(13)12-5-9(10,11)4-7(12)3/h6-7H,4-5H2,1-3H3
InChIKeyGASOEDJACPYSRZ-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.26
Rot. Bonds1

About propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate

propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate (PubChem CID 177327283) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate
PubChem CID177327283
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Namepropan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate
SMILESCC(C)OC(=O)N1CC(F)(F)CC1C
InChIInChI=1S/C9H15F2NO2/c1-6(2)14-8(13)12-5-9(10,11)4-7(12)3/h6-7H,4-5H2,1-3H3
InChIKeyGASOEDJACPYSRZ-UHFFFAOYSA-N
XLogP2.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate?
The IUPAC name of propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate (CID 177327283) is propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate is CC(C)OC(=O)N1CC(F)(F)CC1C.
What is the InChIKey of propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate?
The InChIKey is GASOEDJACPYSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-6(2)14-8(13)12-5-9(10,11)4-7(12)3/h6-7H,4-5H2,1-3H3.
What are the key properties of propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate?
propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate has a molecular weight of 207.22 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4,4-difluoro-2-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 177327283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).