4-(Boc-amino)-1-(trifluoromethyl)cyclohexanol - CAS 1251923-37-1
Catalog: |
BB006089 |
Product Name: |
4-(Boc-amino)-1-(trifluoromethyl)cyclohexanol |
CAS: |
1251923-37-1 |
Synonyms: |
N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]carbamic acid tert-butyl ester; tert-butyl N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]carbamate |
IUPAC Name: | tert-butyl N-[4-hydroxy-4-(trifluoromethyl)cyclohexyl]carbamate |
Description: | 4-(Boc-amino)-1-(trifluoromethyl)cyclohexanol (CAS# 1251923-37-1 ) is a useful research chemical. |
Molecular Weight: | 283.29 |
Molecular Formula: | C12H20F3NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1CCC(CC1)(C(F)(F)F)O |
InChI: | InChI=1S/C12H20F3NO3/c1-10(2,3)19-9(17)16-8-4-6-11(18,7-5-8)12(13,14)15/h8,18H,4-7H2,1-3H3,(H,16,17) |
InChI Key: | HRYYNPRJLWMTND-UHFFFAOYSA-N |
LogP: | 3.13800 |
Complexity: | 328 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.13952799 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.13952799 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 58.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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