N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine

C13H23F2NO — CID 114223977

IUPACN-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCC2CCCC(F)(F)C2)C1
InChIInChI=1S/C13H23F2NO/c1-2-17-12-6-11(7-12)16-9-10-4-3-5-13(14,15)8-10/h10-12,16H,2-9H2,1H3
InChIKeyZUWQCDLAUQLXCA-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.97
Rot. Bonds5

About N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine

N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine (PubChem CID 114223977) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine
PubChem CID114223977
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC NameN-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(NCC2CCCC(F)(F)C2)C1
InChIInChI=1S/C13H23F2NO/c1-2-17-12-6-11(7-12)16-9-10-4-3-5-13(14,15)8-10/h10-12,16H,2-9H2,1H3
InChIKeyZUWQCDLAUQLXCA-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine 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 N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine?
The IUPAC name of N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine (CID 114223977) is N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine?
The canonical SMILES for N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine is CCOC1CC(NCC2CCCC(F)(F)C2)C1.
What is the InChIKey of N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine?
The InChIKey is ZUWQCDLAUQLXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-2-17-12-6-11(7-12)16-9-10-4-3-5-13(14,15)8-10/h10-12,16H,2-9H2,1H3.
What are the key properties of N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine?
N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine has a molecular weight of 247.33 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclohexyl)methyl]-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 114223977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).