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

C11H23F2NO — CID 161036343

IUPACN-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine
SMILESCCC(F)(F)COCCCNC(C)(C)C
InChIInChI=1S/C11H23F2NO/c1-5-11(12,13)9-15-8-6-7-14-10(2,3)4/h14H,5-9H2,1-4H3
InChIKeyILWXERSRQMOTCV-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.83
Rot. Bonds7

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

N-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine (PubChem CID 161036343) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is N-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine
PubChem CID161036343
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC NameN-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine
SMILESCCC(F)(F)COCCCNC(C)(C)C
InChIInChI=1S/C11H23F2NO/c1-5-11(12,13)9-15-8-6-7-14-10(2,3)4/h14H,5-9H2,1-4H3
InChIKeyILWXERSRQMOTCV-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
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-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine (CID 161036343) is N-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine is CCC(F)(F)COCCCNC(C)(C)C.
What is the InChIKey of N-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine?
The InChIKey is ILWXERSRQMOTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-5-11(12,13)9-15-8-6-7-14-10(2,3)4/h14H,5-9H2,1-4H3.
What are the key properties of N-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine?
N-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine has a molecular weight of 223.31 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-difluorobutoxy)propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 161036343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).