N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine

C11H21F2NO — CID 82009313

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCOCC(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-9-2-4-10(5-3-9)14-6-7-15-8-11(12)13/h9-11,14H,2-8H2,1H3
InChIKeyRRTCNTGRNMLDPC-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.44
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 82009313) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine
PubChem CID82009313
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NCCOCC(F)F)CC1
InChIInChI=1S/C11H21F2NO/c1-9-2-4-10(5-3-9)14-6-7-15-8-11(12)13/h9-11,14H,2-8H2,1H3
InChIKeyRRTCNTGRNMLDPC-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-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-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine (CID 82009313) is N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine is CC1CCC(NCCOCC(F)F)CC1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is RRTCNTGRNMLDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-9-2-4-10(5-3-9)14-6-7-15-8-11(12)13/h9-11,14H,2-8H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 221.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 82009313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).