2-fluoro-2-(2-methoxyethyl)propane-1,3-diol

C6H13FO3 — CID 122239757

IUPAC2-fluoro-2-(2-methoxyethyl)propane-1,3-diol
SMILESCOCCC(F)(CO)CO
InChIInChI=1S/C6H13FO3/c1-10-3-2-6(7,4-8)5-9/h8-9H,2-5H2,1H3
InChIKeyMOEBMLIDLHFZBU-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.28
Rot. Bonds5

About 2-fluoro-2-(2-methoxyethyl)propane-1,3-diol

2-fluoro-2-(2-methoxyethyl)propane-1,3-diol (PubChem CID 122239757) has the molecular formula C6H13FO3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-fluoro-2-(2-methoxyethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-fluoro-2-(2-methoxyethyl)propane-1,3-diol
PubChem CID122239757
Molecular FormulaC6H13FO3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name2-fluoro-2-(2-methoxyethyl)propane-1,3-diol
SMILESCOCCC(F)(CO)CO
InChIInChI=1S/C6H13FO3/c1-10-3-2-6(7,4-8)5-9/h8-9H,2-5H2,1H3
InChIKeyMOEBMLIDLHFZBU-UHFFFAOYSA-N
XLogP-0.28
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Fluorooxetan-3-yl)ethan-1-ol
CID 73977875
4-Methoxy-3-methylbutan-1-ol
CID 23597592
3-Fluoro-3-methylbutan-1-ol
CID 59708471
(3-Fluorooxolan-3-yl)methanol
CID 76003333
[(3R)-3-fluorooxolan-3-yl]methanol
CID 56973678
2-Fluoro-2-methylbutane-1,3-diol
CID 13809425
(2R)-3-butoxy-2-fluoropropan-1-ol
CID 14984887
3-Butoxy-2-fluoropropan-1-ol
CID 14984888
2,3-Difluoro-4-methoxybutan-1-ol
CID 18965852
2-Ethyl-2-fluoropropane-1,3-diol
CID 21642812
2-Fluoro-2-methylbutan-1-ol
CID 21850735
2-(1-Fluoroethyl)-2-(hydroxymethyl)propane-1,3-diol
CID 23064759

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-methoxyethyl)propane-1,3-diol?
The IUPAC name of 2-fluoro-2-(2-methoxyethyl)propane-1,3-diol (CID 122239757) is 2-fluoro-2-(2-methoxyethyl)propane-1,3-diol.
What is the SMILES notation for 2-fluoro-2-(2-methoxyethyl)propane-1,3-diol?
The canonical SMILES for 2-fluoro-2-(2-methoxyethyl)propane-1,3-diol is COCCC(F)(CO)CO.
What is the InChIKey of 2-fluoro-2-(2-methoxyethyl)propane-1,3-diol?
The InChIKey is MOEBMLIDLHFZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3/c1-10-3-2-6(7,4-8)5-9/h8-9H,2-5H2,1H3.
What are the key properties of 2-fluoro-2-(2-methoxyethyl)propane-1,3-diol?
2-fluoro-2-(2-methoxyethyl)propane-1,3-diol has a molecular weight of 152.16 g/mol, XLogP of -0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-methoxyethyl)propane-1,3-diol is sourced from PubChem (CID 122239757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).