[4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium

C10H18F2NO3+ — CID 156890048

IUPAC[4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium
SMILESCOC(=O)C1([NH3+])CCC(OCC(F)F)CC1
InChIInChI=1S/C10H17F2NO3/c1-15-9(14)10(13)4-2-7(3-5-10)16-6-8(11)12/h7-8H,2-6,13H2,1H3/p+1
InChIKeySCWHKUDBGIGOMG-UHFFFAOYSA-O
MW238.25 g/mol
LogP0.36
Rot. Bonds4

About [4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium

[4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium (PubChem CID 156890048) has the molecular formula C10H18F2NO3+ and a molecular weight of 238.25 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium
PubChem CID156890048
Molecular FormulaC10H18F2NO3+
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name[4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium
SMILESCOC(=O)C1([NH3+])CCC(OCC(F)F)CC1
InChIInChI=1S/C10H17F2NO3/c1-15-9(14)10(13)4-2-7(3-5-10)16-6-8(11)12/h7-8H,2-6,13H2,1H3/p+1
InChIKeySCWHKUDBGIGOMG-UHFFFAOYSA-O
XLogP0.36
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium?
The IUPAC name of [4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium (CID 156890048) is [4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium?
The canonical SMILES for [4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium is COC(=O)C1([NH3+])CCC(OCC(F)F)CC1.
What is the InChIKey of [4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium?
The InChIKey is SCWHKUDBGIGOMG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H17F2NO3/c1-15-9(14)10(13)4-2-7(3-5-10)16-6-8(11)12/h7-8H,2-6,13H2,1H3/p+1.
What are the key properties of [4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium?
[4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium has a molecular weight of 238.25 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-1-methoxycarbonylcyclohexyl]azanium is sourced from PubChem (CID 156890048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).