(3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol

C6H9FO4 — CID 142276124

IUPAC(3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol
SMILESOCC1OC(O)/C(=C/F)[C@@H]1O
InChIInChI=1S/C6H9FO4/c7-1-3-5(9)4(2-8)11-6(3)10/h1,4-6,8-10H,2H2/b3-1+/t4?,5-,6?/m0/s1
InChIKeyAVQFRSVPWOTECA-CIVJZBJNSA-N
MW164.13 g/mol
LogP-1.09
Rot. Bonds1

About (3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol

(3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol (PubChem CID 142276124) has the molecular formula C6H9FO4 and a molecular weight of 164.13 g/mol. Its IUPAC name is (3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol.

Molecular Properties

Compound Name(3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol
PubChem CID142276124
Molecular FormulaC6H9FO4
Molecular Weight164.13 g/mol
Exact Mass164.05
IUPAC Name(3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol
SMILESOCC1OC(O)/C(=C/F)[C@@H]1O
InChIInChI=1S/C6H9FO4/c7-1-3-5(9)4(2-8)11-6(3)10/h1,4-6,8-10H,2H2/b3-1+/t4?,5-,6?/m0/s1
InChIKeyAVQFRSVPWOTECA-CIVJZBJNSA-N
XLogP-1.09
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,5S)-5-[(E)-2-fluoroethenyl]oxolane-2,3-diol
CID 44576472
(2R,3S,4E)-4-(fluoromethylidene)-2-(hydroxymethyl)oxolan-3-ol
CID 58308064
(2R,3E,4S,5R)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol
CID 59096586
(2R,4S,5R)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol
CID 90855435
(2R,3S)-4-(fluoromethylidene)-2-(hydroxymethyl)oxolan-3-ol
CID 123711593
5,6-Dideoxy-l-arabino-hex-5-enofuranose
CID 11171050
5,6-Dideoxy-d-xylo-hex-5-enofuranose
CID 129706111
5,6-Dideoxy-d-lyxo-hex-5-enofuranose
CID 129706130
3-Deoxy-3-c-methylene-glucofuranose
CID 129829109
(1R)-2-(diethoxymethyl)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-en-1-ol
CID 134893643
(2R)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol
CID 16092777
(2S)-3-methylidene-2-(trifluoromethyl)oxolane-2,4-diol
CID 101422665

Frequently Asked Questions

What is the IUPAC name of (3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol?
The IUPAC name of (3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol (CID 142276124) is (3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol.
What is the SMILES notation for (3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol?
The canonical SMILES for (3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol is OCC1OC(O)/C(=C/F)[C@@H]1O.
What is the InChIKey of (3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol?
The InChIKey is AVQFRSVPWOTECA-CIVJZBJNSA-N. The full InChI is InChI=1S/C6H9FO4/c7-1-3-5(9)4(2-8)11-6(3)10/h1,4-6,8-10H,2H2/b3-1+/t4?,5-,6?/m0/s1.
What are the key properties of (3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol?
(3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol has a molecular weight of 164.13 g/mol, XLogP of -1.09, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4S)-3-(fluoromethylidene)-5-(hydroxymethyl)oxolane-2,4-diol is sourced from PubChem (CID 142276124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).