[[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol

C11H21F2NO2 — CID 69284526

IUPAC[[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C11H21F2NO2/c1-10(2,3)16-9(15)14-8-5-4-6-11(12,13)7-8/h8-9,14-15H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyFSJJPOHZCKDPOO-VEDVMXKPSA-N
MW237.29 g/mol
LogP2.24
Rot. Bonds3

About [[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol

[[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 69284526) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is [[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name[[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID69284526
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name[[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N[C@@H]1CCCC(F)(F)C1
InChIInChI=1S/C11H21F2NO2/c1-10(2,3)16-9(15)14-8-5-4-6-11(12,13)7-8/h8-9,14-15H,4-7H2,1-3H3/t8-,9?/m1/s1
InChIKeyFSJJPOHZCKDPOO-VEDVMXKPSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of [[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol (CID 69284526) is [[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for [[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for [[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol is CC(C)(C)OC(O)N[C@@H]1CCCC(F)(F)C1.
What is the InChIKey of [[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is FSJJPOHZCKDPOO-VEDVMXKPSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-10(2,3)16-9(15)14-8-5-4-6-11(12,13)7-8/h8-9,14-15H,4-7H2,1-3H3/t8-,9?/m1/s1.
What are the key properties of [[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol?
[[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 237.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[(1R)-3,3-difluorocyclohexyl]amino]-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 69284526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).