N-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine

C14H27F2NO — CID 103080975

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCCOCC(F)F)CC(C)(C)C1
InChIInChI=1S/C14H27F2NO/c1-13(2)7-11(8-14(3,4)10-13)17-5-6-18-9-12(15)16/h11-12,17H,5-10H2,1-4H3
InChIKeyJMVKFLOVMNOUQH-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.46
Rot. Bonds6

About N-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine

N-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine (PubChem CID 103080975) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
PubChem CID103080975
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
SMILESCC1(C)CC(NCCOCC(F)F)CC(C)(C)C1
InChIInChI=1S/C14H27F2NO/c1-13(2)7-11(8-14(3,4)10-13)17-5-6-18-9-12(15)16/h11-12,17H,5-10H2,1-4H3
InChIKeyJMVKFLOVMNOUQH-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.46
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]-3,3,5,5-tetramethylcyclohexan-1-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine (CID 103080975) is N-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine is CC1(C)CC(NCCOCC(F)F)CC(C)(C)C1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
The InChIKey is JMVKFLOVMNOUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-13(2)7-11(8-14(3,4)10-13)17-5-6-18-9-12(15)16/h11-12,17H,5-10H2,1-4H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine has a molecular weight of 263.37 g/mol, XLogP of 3.46, 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]-3,3,5,5-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 103080975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).