2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine

C14H27F2NO — CID 102977828

IUPAC2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCCOCC(F)F
InChIInChI=1S/C14H27F2NO/c1-14(2,3)11-6-4-5-7-12(11)17-8-9-18-10-13(15)16/h11-13,17H,4-10H2,1-3H3
InChIKeyOICJVTFUJJBOAL-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.46
Rot. Bonds6

About 2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine (PubChem CID 102977828) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine
PubChem CID102977828
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCCOCC(F)F
InChIInChI=1S/C14H27F2NO/c1-14(2,3)11-6-4-5-7-12(11)17-8-9-18-10-13(15)16/h11-13,17H,4-10H2,1-3H3
InChIKeyOICJVTFUJJBOAL-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 2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine (CID 102977828) is 2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine is CC(C)(C)C1CCCCC1NCCOCC(F)F.
What is the InChIKey of 2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine?
The InChIKey is OICJVTFUJJBOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-14(2,3)11-6-4-5-7-12(11)17-8-9-18-10-13(15)16/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine?
2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-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 2-tert-butyl-N-[2-(2,2-difluoroethoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 102977828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).