N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine

C14H29F2NO2 — CID 138461003

IUPACN-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)COCC(F)COC(C)(C)C
InChIInChI=1S/C14H29F2NO2/c1-13(2,3)17-7-11(15)8-18-9-12(16)10-19-14(4,5)6/h11-12,17H,7-10H2,1-6H3
InChIKeyQPLSBWFFRUGGNM-UHFFFAOYSA-N
MW281.39 g/mol
LogP2.88
Rot. Bonds8

About N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine

N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine (PubChem CID 138461003) has the molecular formula C14H29F2NO2 and a molecular weight of 281.39 g/mol. Its IUPAC name is N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine
PubChem CID138461003
Molecular FormulaC14H29F2NO2
Molecular Weight281.39 g/mol
Exact Mass281.22
IUPAC NameN-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)COCC(F)COC(C)(C)C
InChIInChI=1S/C14H29F2NO2/c1-13(2,3)17-7-11(15)8-18-9-12(16)10-19-14(4,5)6/h11-12,17H,7-10H2,1-6H3
InChIKeyQPLSBWFFRUGGNM-UHFFFAOYSA-N
XLogP2.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine (CID 138461003) is N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)COCC(F)COC(C)(C)C.
What is the InChIKey of N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine?
The InChIKey is QPLSBWFFRUGGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F2NO2/c1-13(2,3)17-7-11(15)8-18-9-12(16)10-19-14(4,5)6/h11-12,17H,7-10H2,1-6H3.
What are the key properties of N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine?
N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine has a molecular weight of 281.39 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-3-[2-fluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]propyl]-2-methylpropan-2-amine is sourced from PubChem (CID 138461003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).