[(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate

C11H20F2N2O2 — CID 90837067

IUPAC[(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H]1CCCC(F)(F)[C@@H]1N
InChIInChI=1S/C11H20F2N2O2/c1-10(2,3)15-9(16)17-7-5-4-6-11(12,13)8(7)14/h7-8H,4-6,14H2,1-3H3,(H,15,16)/t7-,8-/m1/s1
InChIKeyLYFULHDGLIERCH-HTQZYQBOSA-N
MW250.29 g/mol
LogP2.03
Rot. Bonds1

About [(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate

[(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate (PubChem CID 90837067) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is [(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate
PubChem CID90837067
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name[(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H]1CCCC(F)(F)[C@@H]1N
InChIInChI=1S/C11H20F2N2O2/c1-10(2,3)15-9(16)17-7-5-4-6-11(12,13)8(7)14/h7-8H,4-6,14H2,1-3H3,(H,15,16)/t7-,8-/m1/s1
InChIKeyLYFULHDGLIERCH-HTQZYQBOSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate?
The IUPAC name of [(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate (CID 90837067) is [(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate?
The canonical SMILES for [(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@@H]1CCCC(F)(F)[C@@H]1N.
What is the InChIKey of [(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate?
The InChIKey is LYFULHDGLIERCH-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-10(2,3)15-9(16)17-7-5-4-6-11(12,13)8(7)14/h7-8H,4-6,14H2,1-3H3,(H,15,16)/t7-,8-/m1/s1.
What are the key properties of [(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate?
[(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate has a molecular weight of 250.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-amino-3,3-difluorocyclohexyl] N-tert-butylcarbamate is sourced from PubChem (CID 90837067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).