[4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium

C14H20F2NO+ — CID 135075342

IUPAC[4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium
SMILES[NH3+]C1CCC(OC[C@H](F)c2ccccc2F)CC1
InChIInChI=1S/C14H19F2NO/c15-13-4-2-1-3-12(13)14(16)9-18-11-7-5-10(17)6-8-11/h1-4,10-11,14H,5-9,17H2/p+1/t10?,11?,14-/m0/s1
InChIKeyOOZXPBVCWCBVDA-MGULZYLOSA-O
MW256.32 g/mol
LogP2.41
Rot. Bonds4

About [4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium

[4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium (PubChem CID 135075342) has the molecular formula C14H20F2NO+ and a molecular weight of 256.32 g/mol. Its IUPAC name is [4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium.

Molecular Properties

Compound Name[4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium
PubChem CID135075342
Molecular FormulaC14H20F2NO+
Molecular Weight256.32 g/mol
Exact Mass256.15
IUPAC Name[4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium
SMILES[NH3+]C1CCC(OC[C@H](F)c2ccccc2F)CC1
InChIInChI=1S/C14H19F2NO/c15-13-4-2-1-3-12(13)14(16)9-18-11-7-5-10(17)6-8-11/h1-4,10-11,14H,5-9,17H2/p+1/t10?,11?,14-/m0/s1
InChIKeyOOZXPBVCWCBVDA-MGULZYLOSA-O
XLogP2.41
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]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-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium?
The IUPAC name of [4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium (CID 135075342) is [4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium.
What is the SMILES notation for [4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium?
The canonical SMILES for [4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium is [NH3+]C1CCC(OC[C@H](F)c2ccccc2F)CC1.
What is the InChIKey of [4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium?
The InChIKey is OOZXPBVCWCBVDA-MGULZYLOSA-O. The full InChI is InChI=1S/C14H19F2NO/c15-13-4-2-1-3-12(13)14(16)9-18-11-7-5-10(17)6-8-11/h1-4,10-11,14H,5-9,17H2/p+1/t10?,11?,14-/m0/s1.
What are the key properties of [4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium?
[4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium has a molecular weight of 256.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-fluoro-2-(2-fluorophenyl)ethoxy]cyclohexyl]azanium is sourced from PubChem (CID 135075342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).