4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol

C10H14FNO2 — CID 105426160

IUPAC4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol
SMILESCOc1cc(O)ccc1C(C)(F)CN
InChIInChI=1S/C10H14FNO2/c1-10(11,6-12)8-4-3-7(13)5-9(8)14-2/h3-5,13H,6,12H2,1-2H3
InChIKeyGLIJSCOKRIDQHJ-UHFFFAOYSA-N
MW199.23 g/mol
LogP1.54
Rot. Bonds3

About 4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol

4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol (PubChem CID 105426160) has the molecular formula C10H14FNO2 and a molecular weight of 199.23 g/mol. Its IUPAC name is 4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol.

Molecular Properties

Compound Name4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol
PubChem CID105426160
Molecular FormulaC10H14FNO2
Molecular Weight199.23 g/mol
Exact Mass199.10
IUPAC Name4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol
SMILESCOc1cc(O)ccc1C(C)(F)CN
InChIInChI=1S/C10H14FNO2/c1-10(11,6-12)8-4-3-7(13)5-9(8)14-2/h3-5,13H,6,12H2,1-2H3
InChIKeyGLIJSCOKRIDQHJ-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol?
The IUPAC name of 4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol (CID 105426160) is 4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol.
What is the SMILES notation for 4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol?
The canonical SMILES for 4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol is COc1cc(O)ccc1C(C)(F)CN.
What is the InChIKey of 4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol?
The InChIKey is GLIJSCOKRIDQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-10(11,6-12)8-4-3-7(13)5-9(8)14-2/h3-5,13H,6,12H2,1-2H3.
What are the key properties of 4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol?
4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol has a molecular weight of 199.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-fluoropropan-2-yl)-3-methoxyphenol is sourced from PubChem (CID 105426160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).