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

C11H23F2NO — CID 175628773

IUPACN-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCC(F)(F)OC(C)(C)C
InChIInChI=1S/C11H23F2NO/c1-9(2,3)14-8-7-11(12,13)15-10(4,5)6/h14H,7-8H2,1-6H3
InChIKeyBYXOSFAOEGTVQN-UHFFFAOYSA-N
MW223.31 g/mol
LogP3.17
Rot. Bonds4

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

N-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine (PubChem CID 175628773) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is N-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
PubChem CID175628773
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC NameN-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCC(F)(F)OC(C)(C)C
InChIInChI=1S/C11H23F2NO/c1-9(2,3)14-8-7-11(12,13)15-10(4,5)6/h14H,7-8H2,1-6H3
InChIKeyBYXOSFAOEGTVQN-UHFFFAOYSA-N
XLogP3.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine (CID 175628773) is N-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine is CC(C)(C)NCCC(F)(F)OC(C)(C)C.
What is the InChIKey of N-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine?
The InChIKey is BYXOSFAOEGTVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-9(2,3)14-8-7-11(12,13)15-10(4,5)6/h14H,7-8H2,1-6H3.
What are the key properties of N-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine?
N-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine has a molecular weight of 223.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 175628773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).