N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine

C12H25F2NO2 — CID 161286345

IUPACN-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine
SMILESCCCOCCOCC(F)(F)CNC(C)(C)C
InChIInChI=1S/C12H25F2NO2/c1-5-6-16-7-8-17-10-12(13,14)9-15-11(2,3)4/h15H,5-10H2,1-4H3
InChIKeyKLMAIUIVJSTOJU-UHFFFAOYSA-N
MW253.33 g/mol
LogP2.45
Rot. Bonds9

About N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine

N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine (PubChem CID 161286345) has the molecular formula C12H25F2NO2 and a molecular weight of 253.33 g/mol. Its IUPAC name is N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine
PubChem CID161286345
Molecular FormulaC12H25F2NO2
Molecular Weight253.33 g/mol
Exact Mass253.19
IUPAC NameN-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine
SMILESCCCOCCOCC(F)(F)CNC(C)(C)C
InChIInChI=1S/C12H25F2NO2/c1-5-6-16-7-8-17-10-12(13,14)9-15-11(2,3)4/h15H,5-10H2,1-4H3
InChIKeyKLMAIUIVJSTOJU-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 52.45
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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Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine (CID 161286345) is N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine is CCCOCCOCC(F)(F)CNC(C)(C)C.
What is the InChIKey of N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is KLMAIUIVJSTOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2NO2/c1-5-6-16-7-8-17-10-12(13,14)9-15-11(2,3)4/h15H,5-10H2,1-4H3.
What are the key properties of N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine?
N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 253.33 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 161286345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).