N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine

C11H23F2NO2 — CID 103082694

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCCOCC(F)F
InChIInChI=1S/C11H23F2NO2/c1-9(7-11(2,3)15-4)14-5-6-16-8-10(12)13/h9-10,14H,5-8H2,1-4H3
InChIKeyTVACAEJKDVGWIN-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.06
Rot. Bonds9

About N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 103082694) has the molecular formula C11H23F2NO2 and a molecular weight of 239.31 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine
PubChem CID103082694
Molecular FormulaC11H23F2NO2
Molecular Weight239.31 g/mol
Exact Mass239.17
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NCCOCC(F)F
InChIInChI=1S/C11H23F2NO2/c1-9(7-11(2,3)15-4)14-5-6-16-8-10(12)13/h9-10,14H,5-8H2,1-4H3
InChIKeyTVACAEJKDVGWIN-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 141688309
1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 155459777
2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine
CID 158575551
4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 55260683
4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 61490525
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-3-amine
CID 61490601
N-[[1-(2,2,2-trifluoroethoxy)cyclopentyl]methyl]propan-2-amine
CID 62111090
N-ethyl-2-methyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62353424
2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62353425
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
CID 62564787
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine (CID 103082694) is N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(C)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is TVACAEJKDVGWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO2/c1-9(7-11(2,3)15-4)14-5-6-16-8-10(12)13/h9-10,14H,5-8H2,1-4H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 239.31 g/mol, XLogP of 2.06, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103082694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).