1-(Boc-amino)-3,3-difluorocyclobutane-1-methanol - CAS 1232365-42-2
Catalog: |
BB072480 |
Product Name: |
1-(Boc-amino)-3,3-difluorocyclobutane-1-methanol |
CAS: |
1232365-42-2 |
Synonyms: |
1-(BOC-AMINO)-3,3-DIFLUOROCYCLOBUTANE-1-METHANOL; tert-butyl N-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]carbamate; tert-Butyl (3,3-difluoro-1-(hydroxymethyl)cyclobutyl)carbamate |
IUPAC Name: | tert-butyl N-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]carbamate |
Description: | 1-(Boc-amino)-3,3-difluorocyclobutane-1-methanol is used in preparation of Amide derivatives useful in the treatment of HBV infection or HBV-induced diseases. |
Molecular Weight: | 237.24 |
Molecular Formula: | C10H17NO3F2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1(CC(C1)(F)F)CO |
InChI: | InChI=1S/C10H17F2NO3/c1-8(2,3)16-7(15)13-9(6-14)4-10(11,12)5-9/h14H,4-6H2,1-3H3,(H,13,15) |
InChI Key: | RNZVBWMKWVRXIY-UHFFFAOYSA-N |
References: | Coesemans, E., et al. PCT Int. Appl., (2020). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.11764973 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.11764973 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 58.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS