3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine

C10H21F2NO — CID 162476714

IUPAC3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine
SMILESCC(C)(C)OCCCNCCC(F)F
InChIInChI=1S/C10H21F2NO/c1-10(2,3)14-8-4-6-13-7-5-9(11)12/h9,13H,4-8H2,1-3H3
InChIKeyISBDIGFYPGJXRE-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.44
Rot. Bonds7

About 3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine

3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine (PubChem CID 162476714) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine
PubChem CID162476714
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine
SMILESCC(C)(C)OCCCNCCC(F)F
InChIInChI=1S/C10H21F2NO/c1-10(2,3)14-8-4-6-13-7-5-9(11)12/h9,13H,4-8H2,1-3H3
InChIKeyISBDIGFYPGJXRE-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.44
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 3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine?
The IUPAC name of 3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine (CID 162476714) is 3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine?
The canonical SMILES for 3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine is CC(C)(C)OCCCNCCC(F)F.
What is the InChIKey of 3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine?
The InChIKey is ISBDIGFYPGJXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-10(2,3)14-8-4-6-13-7-5-9(11)12/h9,13H,4-8H2,1-3H3.
What are the key properties of 3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine?
3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine has a molecular weight of 209.28 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[3-[(2-methylpropan-2-yl)oxy]propyl]propan-1-amine is sourced from PubChem (CID 162476714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).