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

C12H23F2NO — CID 102978139

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCCOCC(F)F
InChIInChI=1S/C12H23F2NO/c1-12(2)6-4-3-5-10(12)15-7-8-16-9-11(13)14/h10-11,15H,3-9H2,1-2H3
InChIKeyLWWXPKCXINXPJQ-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.83
Rot. Bonds6

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

N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine (PubChem CID 102978139) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine
PubChem CID102978139
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCCOCC(F)F
InChIInChI=1S/C12H23F2NO/c1-12(2)6-4-3-5-10(12)15-7-8-16-9-11(13)14/h10-11,15H,3-9H2,1-2H3
InChIKeyLWWXPKCXINXPJQ-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine (CID 102978139) is N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine?
The InChIKey is LWWXPKCXINXPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-12(2)6-4-3-5-10(12)15-7-8-16-9-11(13)14/h10-11,15H,3-9H2,1-2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-2,2-dimethylcyclohexan-1-amine has a molecular weight of 235.32 g/mol, XLogP of 2.83, 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]-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 102978139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).