3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol

C8H18FNO2 — CID 178173358

IUPAC3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol
SMILESCOC(F)C(CO)N(C)C(C)C
InChIInChI=1S/C8H18FNO2/c1-6(2)10(3)7(5-11)8(9)12-4/h6-8,11H,5H2,1-4H3
InChIKeyZYHXILBCQMWJQP-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.63
Rot. Bonds5

About 3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol

3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol (PubChem CID 178173358) has the molecular formula C8H18FNO2 and a molecular weight of 179.23 g/mol. Its IUPAC name is 3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol
PubChem CID178173358
Molecular FormulaC8H18FNO2
Molecular Weight179.23 g/mol
Exact Mass179.13
IUPAC Name3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol
SMILESCOC(F)C(CO)N(C)C(C)C
InChIInChI=1S/C8H18FNO2/c1-6(2)10(3)7(5-11)8(9)12-4/h6-8,11H,5H2,1-4H3
InChIKeyZYHXILBCQMWJQP-UHFFFAOYSA-N
XLogP0.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol (CID 178173358) is 3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol is COC(F)C(CO)N(C)C(C)C.
What is the InChIKey of 3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol?
The InChIKey is ZYHXILBCQMWJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2/c1-6(2)10(3)7(5-11)8(9)12-4/h6-8,11H,5H2,1-4H3.
What are the key properties of 3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol?
3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol has a molecular weight of 179.23 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methoxy-2-[methyl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 178173358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).