Methyl 3,3-Difluorocyclobutanecarboxylate - CAS 1234616-13-7
Catalog: |
BB005688 |
Product Name: |
Methyl 3,3-Difluorocyclobutanecarboxylate |
CAS: |
1234616-13-7 |
Synonyms: |
3,3-difluoro-1-cyclobutanecarboxylic acid methyl ester; methyl 3,3-difluorocyclobutane-1-carboxylate |
IUPAC Name: | methyl 3,3-difluorocyclobutane-1-carboxylate |
Description: | Methyl 3,3-Difluorocyclobutanecarboxylate (CAS# 1234616-13-7) is used in the preparation of substituted azoles as antiviral compounds, inhibits the function of the NS5A protein encoded by hepatitis C virus (HCV). |
Molecular Weight: | 150.12 |
Molecular Formula: | C6H8F2O2 |
Canonical SMILES: | COC(=O)C1CC(C1)(F)F |
InChI: | InChI=1S/C6H8F2O2/c1-10-5(9)4-2-6(7,8)3-4/h4H,2-3H2,1H3 |
InChI Key: | KXPLKLQVORGLGC-UHFFFAOYSA-N |
Appearance: | Colorless to yellow liquid |
Storage: | Sealed in dry, 2-8 ℃ |
MDL: | MFCD17015922 |
LogP: | 1.20470 |
Publication Number | Title | Priority Date |
WO-2020172258-A1 | Modulators of myc family proto-oncogene protein | 20190219 |
JP-2020128368-A | Medicine containing an azole-substituted pyridine compound as an active ingredient | 20190208 |
WO-2019201283-A1 | Dual atm and dna-pk inhibitors for use in anti-tumor therapy | 20180420 |
AU-2019254980-A1 | Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy | 20180420 |
BR-112020021323-A2 | DOUBLE ATM AND DNA-PK INHIBITORS FOR USE IN ANTITUMORAL THERAPY | 20180420 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.04923582 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.04923582 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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