2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid

C10H15F2NO4 — CID 167716231

IUPAC2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)C1(C(=O)O)CC1(F)F
InChIInChI=1S/C10H15F2NO4/c1-8(2,3)17-7(16)13(4)9(6(14)15)5-10(9,11)12/h5H2,1-4H3,(H,14,15)
InChIKeyGORYZGDQAGLKNU-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.72
Rot. Bonds2

About 2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid

2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 167716231) has the molecular formula C10H15F2NO4 and a molecular weight of 251.23 g/mol. Its IUPAC name is 2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid
PubChem CID167716231
Molecular FormulaC10H15F2NO4
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)C1(C(=O)O)CC1(F)F
InChIInChI=1S/C10H15F2NO4/c1-8(2,3)17-7(16)13(4)9(6(14)15)5-10(9,11)12/h5H2,1-4H3,(H,14,15)
InChIKeyGORYZGDQAGLKNU-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid (CID 167716231) is 2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid is CN(C(=O)OC(C)(C)C)C1(C(=O)O)CC1(F)F.
What is the InChIKey of 2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is GORYZGDQAGLKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO4/c1-8(2,3)17-7(16)13(4)9(6(14)15)5-10(9,11)12/h5H2,1-4H3,(H,14,15).
What are the key properties of 2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 251.23 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167716231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).