(E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol

C7H13FO3 — CID 88980133

IUPAC(E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol
SMILESCCO[C@H](/C=C/F)C(O)CO
InChIInChI=1S/C7H13FO3/c1-2-11-7(3-4-8)6(10)5-9/h3-4,6-7,9-10H,2,5H2,1H3/b4-3+/t6?,7-/m1/s1
InChIKeyHMCOPOPVDPRRJS-RRFNHWKSSA-N
MW164.18 g/mol
LogP0.23
Rot. Bonds5

About (E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol

(E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol (PubChem CID 88980133) has the molecular formula C7H13FO3 and a molecular weight of 164.18 g/mol. Its IUPAC name is (E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol.

Molecular Properties

Compound Name(E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol
PubChem CID88980133
Molecular FormulaC7H13FO3
Molecular Weight164.18 g/mol
Exact Mass164.08
IUPAC Name(E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol
SMILESCCO[C@H](/C=C/F)C(O)CO
InChIInChI=1S/C7H13FO3/c1-2-11-7(3-4-8)6(10)5-9/h3-4,6-7,9-10H,2,5H2,1H3/b4-3+/t6?,7-/m1/s1
InChIKeyHMCOPOPVDPRRJS-RRFNHWKSSA-N
XLogP0.23
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol
CID 173475976
(3R)-5-bromo-3-ethoxypent-4-ene-1,2-diol
CID 173475988
(E,4R)-4-ethoxy-5,6-dihydroxyhex-2-enal
CID 88980070
(4R)-4-ethoxy-5,6-dihydroxyhex-2-enenitrile
CID 173475986
(2S,3S)-3-methoxypent-4-ene-1,2-diol
CID 14889025
(1R,2S)-1-ethoxybutane-1,2,3,4-tetrol
CID 89316162
3-ethoxy-4-methylpentane-1,2-diol
CID 23384895
(3R)-3-ethoxy-4,5-dihydroxypentanal
CID 88980061
(2S)-3-ethoxy-3-(2-hydroxyethoxy)propane-1,2-diol
CID 89386326
(2R,3R,4S,5R)-6-ethoxy-6-ethylsulfanylhexane-1,2,3,4,5-pentol
CID 154036897
4-ethoxynonane-1,2,3-triol
CID 174961473
3-(1,2-dihydroxytetradec-4-en-3-yloxy)tetradec-4-ene-1,2-diol
CID 87991332

Frequently Asked Questions

What is the IUPAC name of (E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol?
The IUPAC name of (E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol (CID 88980133) is (E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol.
What is the SMILES notation for (E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol?
The canonical SMILES for (E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol is CCO[C@H](/C=C/F)C(O)CO.
What is the InChIKey of (E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol?
The InChIKey is HMCOPOPVDPRRJS-RRFNHWKSSA-N. The full InChI is InChI=1S/C7H13FO3/c1-2-11-7(3-4-8)6(10)5-9/h3-4,6-7,9-10H,2,5H2,1H3/b4-3+/t6?,7-/m1/s1.
What are the key properties of (E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol?
(E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol has a molecular weight of 164.18 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3-ethoxy-5-fluoropent-4-ene-1,2-diol is sourced from PubChem (CID 88980133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).