2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine

C7H16FNO — CID 83853882

IUPAC2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCC(C)(C)OCC(F)CN
InChIInChI=1S/C7H16FNO/c1-7(2,3)10-5-6(8)4-9/h6H,4-5,9H2,1-3H3
InChIKeyNCZJOGVPZSVXAW-UHFFFAOYSA-N
MW149.21 g/mol
LogP1.10
Rot. Bonds3

About 2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine

2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine (PubChem CID 83853882) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
PubChem CID83853882
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
SMILESCC(C)(C)OCC(F)CN
InChIInChI=1S/C7H16FNO/c1-7(2,3)10-5-6(8)4-9/h6H,4-5,9H2,1-3H3
InChIKeyNCZJOGVPZSVXAW-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The IUPAC name of 2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine (CID 83853882) is 2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine.
What is the SMILES notation for 2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The canonical SMILES for 2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine is CC(C)(C)OCC(F)CN.
What is the InChIKey of 2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
The InChIKey is NCZJOGVPZSVXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-7(2,3)10-5-6(8)4-9/h6H,4-5,9H2,1-3H3.
What are the key properties of 2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine?
2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine has a molecular weight of 149.21 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine is sourced from PubChem (CID 83853882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).