2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride

C8H19ClFNO — CID 122240036

IUPAC2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride
SMILESCC(C)(C)OCCC(F)CN.Cl
InChIInChI=1S/C8H18FNO.ClH/c1-8(2,3)11-5-4-7(9)6-10;/h7H,4-6,10H2,1-3H3;1H
InChIKeySNQNBZVLMNSOHD-UHFFFAOYSA-N
MW199.70 g/mol
LogP1.91
Rot. Bonds4

About 2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride

2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride (PubChem CID 122240036) has the molecular formula C8H19ClFNO and a molecular weight of 199.70 g/mol. Its IUPAC name is 2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride
PubChem CID122240036
Molecular FormulaC8H19ClFNO
Molecular Weight199.70 g/mol
Exact Mass199.11
IUPAC Name2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride
SMILESCC(C)(C)OCCC(F)CN.Cl
InChIInChI=1S/C8H18FNO.ClH/c1-8(2,3)11-5-4-7(9)6-10;/h7H,4-6,10H2,1-3H3;1H
InChIKeySNQNBZVLMNSOHD-UHFFFAOYSA-N
XLogP1.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride?
The IUPAC name of 2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride (CID 122240036) is 2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride.
What is the SMILES notation for 2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride?
The canonical SMILES for 2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride is CC(C)(C)OCCC(F)CN.Cl.
What is the InChIKey of 2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride?
The InChIKey is SNQNBZVLMNSOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO.ClH/c1-8(2,3)11-5-4-7(9)6-10;/h7H,4-6,10H2,1-3H3;1H.
What are the key properties of 2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride?
2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride has a molecular weight of 199.70 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;hydrochloride is sourced from PubChem (CID 122240036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).