(R)-1-Boc-4,4-difluoropyrrolidine-2-carboxylic acid - CAS 536747-87-2
Catalog: |
BB054625 |
Product Name: |
(R)-1-Boc-4,4-difluoropyrrolidine-2-carboxylic acid |
CAS: |
536747-87-2 |
Synonyms: |
(R)-1-(Tert-butoxycarbonyl)-4,4-difluoropyrrolidine-2-carboxylic acid; (2R)-1-[(tert-butoxy)carbonyl]-4,4-difluoropyrrolidine-2-carboxylic acid |
IUPAC Name: | (2R)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid |
Molecular Weight: | 251.23 |
Molecular Formula: | C10H15F2NO4 |
Canonical SMILES: | CC(C)(C)OC(=O)N1CC(CC1C(=O)O)(F)F |
InChI: | InChI=1S/C10H15F2NO4/c1-9(2,3)17-8(16)13-5-10(11,12)4-6(13)7(14)15/h6H,4-5H2,1-3H3,(H,14,15)/t6-/m1/s1 |
InChI Key: | WTMZYKCXBXPVPT-ZCFIWIBFSA-N |
Boiling Point: | 340.4±42.0 °C at 760 mmHg |
Density: | 1.31±0.1 g/cm3 |
Storage: | Store at 2-8°C |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.09691428 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.09691428 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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