2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol

C6H9FO3 — CID 130145371

IUPAC2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol
SMILESOC1C=COC(CF)C1O
InChIInChI=1S/C6H9FO3/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-6,8-9H,3H2
InChIKeyCGMXJCBATXBFHQ-UHFFFAOYSA-N
MW148.13 g/mol
LogP-0.41
Rot. Bonds1

About 2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol

2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 130145371) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is 2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID130145371
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol
SMILESOC1C=COC(CF)C1O
InChIInChI=1S/C6H9FO3/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-6,8-9H,3H2
InChIKeyCGMXJCBATXBFHQ-UHFFFAOYSA-N
XLogP-0.41
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

D-Galactal
CID 2734735
D-(+)-Glucal
CID 2734736
(2R,3R,4R)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
CID 10866360
d-Glucal
CID 114633
2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 89465
Ribal
CID 126055
2-Methyl-3,4-dihydro-2H-pyran-3,4-diol
CID 265571
2,5-Anhydro-4-deoxy-D-erythro-pent-4-enitol
CID 49867562
(2S,3R,4S)-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
CID 10986248
(3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 59658630
(2R,3S,4S)-2-fluoro-2-(hydroxymethyl)-3,4-dihydropyran-3,4,5-triol
CID 71296034
(2R,3S,4S)-5-fluoro-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
CID 53653541

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of 2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol (CID 130145371) is 2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for 2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for 2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol is OC1C=COC(CF)C1O.
What is the InChIKey of 2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is CGMXJCBATXBFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO3/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-6,8-9H,3H2.
What are the key properties of 2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol?
2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 148.13 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 130145371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).