methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate

C7H10F3NO2 — CID 167738922

IUPACmethyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](C(F)(F)F)[C@@H]1N
InChIInChI=1S/C7H10F3NO2/c1-13-6(12)3-2-4(5(3)11)7(8,9)10/h3-5H,2,11H2,1H3/t3-,4-,5-/m1/s1
InChIKeyMTPQQHFQPRUBNN-UOWFLXDJSA-N
MW197.16 g/mol
LogP0.69
Rot. Bonds1

About methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate

methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate (PubChem CID 167738922) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate
PubChem CID167738922
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Namemethyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](C(F)(F)F)[C@@H]1N
InChIInChI=1S/C7H10F3NO2/c1-13-6(12)3-2-4(5(3)11)7(8,9)10/h3-5H,2,11H2,1H3/t3-,4-,5-/m1/s1
InChIKeyMTPQQHFQPRUBNN-UOWFLXDJSA-N
XLogP0.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1S,2R)-2-(trifluoromethyl)cyclohexane-1-carboxylate
CID 129381648
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 4,4-difluoro-2-(trifluoromethyl)cyclopentane-1-carboxylate
CID 167239486
methyl 2-amino-3-methylcyclopentane-1-carboxylate
CID 54300457
methyl (1R,5R,6S)-6-aminobicyclo[3.1.0]hexane-2-carboxylate
CID 84650185
methyl (2R,3R,5R)-5-methyl-2-(trifluoromethyl)oxolane-3-carboxylate
CID 124745641
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
dimethyl 4-tert-butylcyclopentane-1,2-dicarboxylate
CID 545084
methyl (1S,2S,4R,5R)-4-aminobicyclo[3.1.0]hexane-2-carboxylate
CID 172613050
methyl (1R,6S)-6-aminocyclohex-3-ene-1-carboxylate
CID 95434652
methyl (1S,2S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate
CID 59065836

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate (CID 167738922) is methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate is COC(=O)[C@@H]1C[C@@H](C(F)(F)F)[C@@H]1N.
What is the InChIKey of methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate?
The InChIKey is MTPQQHFQPRUBNN-UOWFLXDJSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-13-6(12)3-2-4(5(3)11)7(8,9)10/h3-5H,2,11H2,1H3/t3-,4-,5-/m1/s1.
What are the key properties of methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate?
methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate has a molecular weight of 197.16 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,3R)-2-amino-3-(trifluoromethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 167738922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).