2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid

C10H13F4NO4 — CID 167732083

IUPAC2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CC(F)(F)C1(F)F
InChIInChI=1S/C10H13F4NO4/c1-7(2,3)19-6(18)15-8(5(16)17)4-9(11,12)10(8,13)14/h4H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyNLZLDKUMSRSDKW-UHFFFAOYSA-N
MW287.21 g/mol
LogP2.01
Rot. Bonds2

About 2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid

2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid (PubChem CID 167732083) has the molecular formula C10H13F4NO4 and a molecular weight of 287.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
PubChem CID167732083
Molecular FormulaC10H13F4NO4
Molecular Weight287.21 g/mol
Exact Mass287.08
IUPAC Name2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)NC1(C(=O)O)CC(F)(F)C1(F)F
InChIInChI=1S/C10H13F4NO4/c1-7(2,3)19-6(18)15-8(5(16)17)4-9(11,12)10(8,13)14/h4H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyNLZLDKUMSRSDKW-UHFFFAOYSA-N
XLogP2.01
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R)-2,2-difluoro-1-(hydroxymethyl)cyclopropyl]carbamate
CID 15421754
tert-butyl N-(2,2-difluoro-3-methyl-1-bicyclo[1.1.1]pentanyl)carbamate
CID 167720360
tert-butyl N-[1-(aminomethyl)-2,2-difluorocyclopropyl]carbamate
CID 167726383
tert-butyl N-(1-cyano-2,2-difluorocyclopropyl)carbamate
CID 45158925
cis-(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 57348144
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxocyclopropane-1-carboxylic acid
CID 67416997
4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.1.1]hexane-1-carboxylic acid
CID 25324806
sodium 3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylate
CID 118957644
tert-butyl N-(3,3-difluoro-1-phenylcyclobutyl)carbamate
CID 171921911
tert-butyl N-[2,2-difluoro-1-[4-methoxybutyl(methyl)carbamoyl]cyclopropyl]carbamate
CID 154778813
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.4]heptane-2-carboxylate
CID 129452599

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid (CID 167732083) is 2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid is CC(C)(C)OC(=O)NC1(C(=O)O)CC(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid?
The InChIKey is NLZLDKUMSRSDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4NO4/c1-7(2,3)19-6(18)15-8(5(16)17)4-9(11,12)10(8,13)14/h4H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid?
2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid has a molecular weight of 287.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 167732083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).