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

C11H23F2NO — CID 89110455

IUPACN-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)(F)COC(C)(C)C
InChIInChI=1S/C11H23F2NO/c1-9(2,3)14-7-11(12,13)8-15-10(4,5)6/h14H,7-8H2,1-6H3
InChIKeyNDLVAPMHXIIKNP-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.82
Rot. Bonds4

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

N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine (PubChem CID 89110455) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
PubChem CID89110455
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC NameN-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)(F)COC(C)(C)C
InChIInChI=1S/C11H23F2NO/c1-9(2,3)14-7-11(12,13)8-15-10(4,5)6/h14H,7-8H2,1-6H3
InChIKeyNDLVAPMHXIIKNP-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine (CID 89110455) is N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)(F)COC(C)(C)C.
What is the InChIKey of N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine?
The InChIKey is NDLVAPMHXIIKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-9(2,3)14-7-11(12,13)8-15-10(4,5)6/h14H,7-8H2,1-6H3.
What are the key properties of N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine?
N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine has a molecular weight of 223.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 89110455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).