[(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate

C11H20F2N2O2 — CID 175838483

IUPAC[(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate
SMILESCC(C)(C)N1CCC[C@@H](OC(N)=O)[C@H]1C(F)F
InChIInChI=1S/C11H20F2N2O2/c1-11(2,3)15-6-4-5-7(17-10(14)16)8(15)9(12)13/h7-9H,4-6H2,1-3H3,(H2,14,16)/t7-,8+/m1/s1
InChIKeyDKKQYWMZKFKKKR-SFYZADRCSA-N
MW250.29 g/mol
LogP1.98
Rot. Bonds2

About [(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate

[(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate (PubChem CID 175838483) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is [(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate.

Molecular Properties

Compound Name[(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate
PubChem CID175838483
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name[(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate
SMILESCC(C)(C)N1CCC[C@@H](OC(N)=O)[C@H]1C(F)F
InChIInChI=1S/C11H20F2N2O2/c1-11(2,3)15-6-4-5-7(17-10(14)16)8(15)9(12)13/h7-9H,4-6H2,1-3H3,(H2,14,16)/t7-,8+/m1/s1
InChIKeyDKKQYWMZKFKKKR-SFYZADRCSA-N
XLogP1.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate?
The IUPAC name of [(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate (CID 175838483) is [(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate.
What is the SMILES notation for [(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate?
The canonical SMILES for [(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate is CC(C)(C)N1CCC[C@@H](OC(N)=O)[C@H]1C(F)F.
What is the InChIKey of [(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate?
The InChIKey is DKKQYWMZKFKKKR-SFYZADRCSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-11(2,3)15-6-4-5-7(17-10(14)16)8(15)9(12)13/h7-9H,4-6H2,1-3H3,(H2,14,16)/t7-,8+/m1/s1.
What are the key properties of [(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate?
[(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate has a molecular weight of 250.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-tert-butyl-2-(difluoromethyl)piperidin-3-yl] carbamate is sourced from PubChem (CID 175838483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).