N-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine

C11H23F2NO — CID 161286343

IUPACN-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine
SMILESCCCCOCC(F)(F)CNC(C)(C)C
InChIInChI=1S/C11H23F2NO/c1-5-6-7-15-9-11(12,13)8-14-10(2,3)4/h14H,5-9H2,1-4H3
InChIKeyXXMMLXHJBYNCSP-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.83
Rot. Bonds7

About N-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine

N-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine (PubChem CID 161286343) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is N-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine
PubChem CID161286343
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC NameN-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine
SMILESCCCCOCC(F)(F)CNC(C)(C)C
InChIInChI=1S/C11H23F2NO/c1-5-6-7-15-9-11(12,13)8-14-10(2,3)4/h14H,5-9H2,1-4H3
InChIKeyXXMMLXHJBYNCSP-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-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine?
The IUPAC name of N-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine (CID 161286343) is N-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine is CCCCOCC(F)(F)CNC(C)(C)C.
What is the InChIKey of N-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine?
The InChIKey is XXMMLXHJBYNCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-5-6-7-15-9-11(12,13)8-14-10(2,3)4/h14H,5-9H2,1-4H3.
What are the key properties of N-(3-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine?
N-(3-butoxy-2,2-difluoropropyl)-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-butoxy-2,2-difluoropropyl)-2-methylpropan-2-amine is sourced from PubChem (CID 161286343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).