(2R,3S)-3-fluorohex-5-ene-1,2-diol

C6H11FO2 — CID 56635196

IUPAC(2R,3S)-3-fluorohex-5-ene-1,2-diol
SMILESC=CC[C@H](F)[C@H](O)CO
InChIInChI=1S/C6H11FO2/c1-2-3-5(7)6(9)4-8/h2,5-6,8-9H,1,3-4H2/t5-,6+/m0/s1
InChIKeyYKWRHUCOBHHZJR-NTSWFWBYSA-N
MW134.15 g/mol
LogP0.25
Rot. Bonds4

About (2R,3S)-3-fluorohex-5-ene-1,2-diol

(2R,3S)-3-fluorohex-5-ene-1,2-diol (PubChem CID 56635196) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is (2R,3S)-3-fluorohex-5-ene-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-fluorohex-5-ene-1,2-diol
PubChem CID56635196
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Name(2R,3S)-3-fluorohex-5-ene-1,2-diol
SMILESC=CC[C@H](F)[C@H](O)CO
InChIInChI=1S/C6H11FO2/c1-2-3-5(7)6(9)4-8/h2,5-6,8-9H,1,3-4H2/t5-,6+/m0/s1
InChIKeyYKWRHUCOBHHZJR-NTSWFWBYSA-N
XLogP0.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Hexene-1,2-diol
CID 2736512
(S)-4-Pentene-1,2-diol
CID 11062320
(2R,3S)-hex-5-ene-1,2,3-triol
CID 49765126
(2S)-Hex-5-ene-1,2-diol
CID 10820506
(2R)-hex-5-ene-1,2-diol
CID 6540285
(2R,3R,4R)-hept-6-ene-2,3,4-triol
CID 49788345
Pent-4-ene-1,2-diol
CID 10942356
1-Hexene-4,5-diol
CID 11137138
(2R)-pent-4-ene-1,2-diol
CID 11768514
(2S,3S)-3-fluoropent-4-ene-1,2-diol
CID 21671011
(2S,3S)-1,1-difluorohept-6-ene-2,3-diol
CID 25242735
2-Fluorohex-5-en-1-ol
CID 10701815

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-fluorohex-5-ene-1,2-diol?
The IUPAC name of (2R,3S)-3-fluorohex-5-ene-1,2-diol (CID 56635196) is (2R,3S)-3-fluorohex-5-ene-1,2-diol.
What is the SMILES notation for (2R,3S)-3-fluorohex-5-ene-1,2-diol?
The canonical SMILES for (2R,3S)-3-fluorohex-5-ene-1,2-diol is C=CC[C@H](F)[C@H](O)CO.
What is the InChIKey of (2R,3S)-3-fluorohex-5-ene-1,2-diol?
The InChIKey is YKWRHUCOBHHZJR-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11FO2/c1-2-3-5(7)6(9)4-8/h2,5-6,8-9H,1,3-4H2/t5-,6+/m0/s1.
What are the key properties of (2R,3S)-3-fluorohex-5-ene-1,2-diol?
(2R,3S)-3-fluorohex-5-ene-1,2-diol has a molecular weight of 134.15 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-fluorohex-5-ene-1,2-diol is sourced from PubChem (CID 56635196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).