1-fluoro-3-methoxypropan-2-ol

C4H9FO2 — CID 53422469

IUPAC1-fluoro-3-methoxypropan-2-ol
SMILESCOCC(O)CF
InChIInChI=1S/C4H9FO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3
InChIKeyNTOZUEOZUOBUTO-UHFFFAOYSA-N
MW108.11 g/mol
LogP-0.04
Rot. Bonds3

About 1-fluoro-3-methoxypropan-2-ol

1-fluoro-3-methoxypropan-2-ol (PubChem CID 53422469) has the molecular formula C4H9FO2 and a molecular weight of 108.11 g/mol. Its IUPAC name is 1-fluoro-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-methoxypropan-2-ol
PubChem CID53422469
Molecular FormulaC4H9FO2
Molecular Weight108.11 g/mol
Exact Mass108.06
IUPAC Name1-fluoro-3-methoxypropan-2-ol
SMILESCOCC(O)CF
InChIInChI=1S/C4H9FO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3
InChIKeyNTOZUEOZUOBUTO-UHFFFAOYSA-N
XLogP-0.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.11
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(18F)fluoro-3-methoxypropan-2-ol
CID 122413426
methane;1-methoxybutan-2-ol
CID 161499525
1,5-dimethoxypentane-2,4-diol
CID 88937884
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
[(2R)-3-fluoro-2-hydroxypropoxy]-hydroxy-dimethoxyphosphanium
CID 89362524
[(2R)-2-hydroxy-3-methoxypropyl] hypochlorite
CID 129235320
(2R)-1-fluoro-3-propan-2-yloxypropan-2-ol
CID 158358225
(2R)-1-methoxy-3-(trideuteriomethoxy)propan-2-ol
CID 138753644
4-[2-(3-hydroxy-4-methoxybutoxy)ethoxy]-1-methoxybutan-2-ol
CID 177262211
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
methane;methoxymethanol;3-methoxypropane-1,2-diol
CID 159796691
(2R)-1-fluoro-3-pentoxypropan-2-ol
CID 55250339

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxypropan-2-ol?
The IUPAC name of 1-fluoro-3-methoxypropan-2-ol (CID 53422469) is 1-fluoro-3-methoxypropan-2-ol.
What is the SMILES notation for 1-fluoro-3-methoxypropan-2-ol?
The canonical SMILES for 1-fluoro-3-methoxypropan-2-ol is COCC(O)CF.
What is the InChIKey of 1-fluoro-3-methoxypropan-2-ol?
The InChIKey is NTOZUEOZUOBUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO2/c1-7-3-4(6)2-5/h4,6H,2-3H2,1H3.
What are the key properties of 1-fluoro-3-methoxypropan-2-ol?
1-fluoro-3-methoxypropan-2-ol has a molecular weight of 108.11 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxypropan-2-ol is sourced from PubChem (CID 53422469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).