1-(Boc-amino)-4,4-difluorocyclohexane - CAS 675112-67-1
Catalog: |
BB033301 |
Product Name: |
1-(Boc-amino)-4,4-difluorocyclohexane |
CAS: |
675112-67-1 |
Synonyms: |
N-(4,4-difluorocyclohexyl)carbamic acid tert-butyl ester; tert-butyl N-(4,4-difluorocyclohexyl)carbamate |
IUPAC Name: | tert-butyl N-(4,4-difluorocyclohexyl)carbamate |
Description: | 1-(Boc-amino)-4,4-difluorocyclohexane (CAS# 675112-67-1) is a useful research chemical. |
Molecular Weight: | 235.27 |
Molecular Formula: | C11H19F2NO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCC(CC1)(F)F |
InChI: | InChI=1S/C11H19F2NO2/c1-10(2,3)16-9(15)14-8-4-6-11(12,13)7-5-8/h8H,4-7H2,1-3H3,(H,14,15) |
InChI Key: | OWELBZTXHNMEKC-UHFFFAOYSA-N |
MDL: | MFCD07781263 |
LogP: | 3.47990 |
Publication Number | Title | Priority Date |
US-10787435-B2 | ASK1 inhibitor and preparation method and use thereof | 20170122 |
EP-3444237-A1 | Iridinesulfonamide compound and use method thereof | 20160322 |
TW-201736341-A | Propidium sulfonamide compounds and methods of use thereof | 20160322 |
WO-2017162156-A1 | Iridinesulfonamide compound and use method thereof | 20160322 |
EP-3444237-B1 | Iridinesulfonamide compound and use method thereof | 20160322 |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.13838517 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.13838517 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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