methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate

C6H7F4NO2 — CID 167715905

IUPACmethyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate
SMILESCOC(=O)C1(N)CC(F)(F)C1(F)F
InChIInChI=1S/C6H7F4NO2/c1-13-3(12)4(11)2-5(7,8)6(4,9)10/h2,11H2,1H3
InChIKeyDHJYBBFUCZIVBX-UHFFFAOYSA-N
MW201.12 g/mol
LogP0.53
Rot. Bonds1

About methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate

methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate (PubChem CID 167715905) has the molecular formula C6H7F4NO2 and a molecular weight of 201.12 g/mol. Its IUPAC name is methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate
PubChem CID167715905
Molecular FormulaC6H7F4NO2
Molecular Weight201.12 g/mol
Exact Mass201.04
IUPAC Namemethyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate
SMILESCOC(=O)C1(N)CC(F)(F)C1(F)F
InChIInChI=1S/C6H7F4NO2/c1-13-3(12)4(11)2-5(7,8)6(4,9)10/h2,11H2,1H3
InChIKeyDHJYBBFUCZIVBX-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.12
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-methyl (1S,2R)-1-amino-2-fluoro-2-propan-2-ylcyclopropane-1-carboxylate
CID 71528630
methyl 2-aminospiro[2.2]pentane-2-carboxylate;hydrochloride
CID 67031096
methyl (1S)-1-amino-2,2-diethylcyclopropane-1-carboxylate
CID 129385459
methyl 2-aminospiro[2.4]heptane-2-carboxylate;hydrochloride
CID 67031572
2,2-difluoro-1-methoxycarbonylcyclopropane-1-carboxylic acid
CID 54275810
methyl 10-aminospiro[4.5]decane-10-carboxylate
CID 83909665
methyl 2-amino-6-thiaspiro[2.5]octane-2-carboxylate
CID 84670226
methyl 3-amino-1,3-dimethylcyclobutane-1-carboxylate
CID 146204019
trans-methyl (1S,2S)-2-chloro-2,3,3-trifluoro-1-methylcyclobutane-1-carboxylate
CID 26596648
methyl 1-(1-aminocyclopropyl)cyclopentane-1-carboxylate
CID 115016491
methyl (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
methyl 4-aminopiperidine-4-carboxylate
CID 22907215

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate?
The IUPAC name of methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate (CID 167715905) is methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate is COC(=O)C1(N)CC(F)(F)C1(F)F.
What is the InChIKey of methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate?
The InChIKey is DHJYBBFUCZIVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F4NO2/c1-13-3(12)4(11)2-5(7,8)6(4,9)10/h2,11H2,1H3.
What are the key properties of methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate?
methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate has a molecular weight of 201.12 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-2,2,3,3-tetrafluorocyclobutane-1-carboxylate is sourced from PubChem (CID 167715905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).