[1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine

C11H21F2NO — CID 65052241

IUPAC[1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCC(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-10(2)3-5-11(8-14,6-4-10)15-7-9(12)13/h9H,3-8,14H2,1-2H3
InChIKeyOPYJYBVSQPXDMH-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.57
Rot. Bonds4

About [1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine

[1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine (PubChem CID 65052241) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is [1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine
PubChem CID65052241
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name[1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCC(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-10(2)3-5-11(8-14,6-4-10)15-7-9(12)13/h9H,3-8,14H2,1-2H3
InChIKeyOPYJYBVSQPXDMH-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine (CID 65052241) is [1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine is CC1(C)CCC(CN)(OCC(F)F)CC1.
What is the InChIKey of [1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is OPYJYBVSQPXDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-10(2)3-5-11(8-14,6-4-10)15-7-9(12)13/h9H,3-8,14H2,1-2H3.
What are the key properties of [1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine?
[1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 221.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethoxy)-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 65052241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).