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

C12H23F2NO — CID 65052661

IUPAC[1-(2,2-difluoroethoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCC(F)F)CC1
InChIInChI=1S/C12H23F2NO/c1-2-3-10-4-6-12(9-15,7-5-10)16-8-11(13)14/h10-11H,2-9,15H2,1H3
InChIKeyYDPCYJNCYIBEOC-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.96
Rot. Bonds6

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

[1-(2,2-difluoroethoxy)-4-propylcyclohexyl]methanamine (PubChem CID 65052661) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is [1-(2,2-difluoroethoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2,2-difluoroethoxy)-4-propylcyclohexyl]methanamine
PubChem CID65052661
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name[1-(2,2-difluoroethoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCC(F)F)CC1
InChIInChI=1S/C12H23F2NO/c1-2-3-10-4-6-12(9-15,7-5-10)16-8-11(13)14/h10-11H,2-9,15H2,1H3
InChIKeyYDPCYJNCYIBEOC-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.96
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-propylcyclohexyl]methanamine?
The IUPAC name of [1-(2,2-difluoroethoxy)-4-propylcyclohexyl]methanamine (CID 65052661) is [1-(2,2-difluoroethoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2,2-difluoroethoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(2,2-difluoroethoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(OCC(F)F)CC1.
What is the InChIKey of [1-(2,2-difluoroethoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is YDPCYJNCYIBEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-2-3-10-4-6-12(9-15,7-5-10)16-8-11(13)14/h10-11H,2-9,15H2,1H3.
What are the key properties of [1-(2,2-difluoroethoxy)-4-propylcyclohexyl]methanamine?
[1-(2,2-difluoroethoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 235.32 g/mol, XLogP of 2.96, 6 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-propylcyclohexyl]methanamine is sourced from PubChem (CID 65052661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).