(2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol

C10H19FO2 — CID 15881149

IUPAC(2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol
SMILESCC(C)=CCC[C@](C)(F)[C@H](O)CO
InChIInChI=1S/C10H19FO2/c1-8(2)5-4-6-10(3,11)9(13)7-12/h5,9,12-13H,4,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyGMYZJGWYQDTRGG-ZJUUUORDSA-N
MW190.26 g/mol
LogP1.81
Rot. Bonds5

About (2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol

(2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol (PubChem CID 15881149) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is (2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol
PubChem CID15881149
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name(2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol
SMILESCC(C)=CCC[C@](C)(F)[C@H](O)CO
InChIInChI=1S/C10H19FO2/c1-8(2)5-4-6-10(3,11)9(13)7-12/h5,9,12-13H,4,6-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyGMYZJGWYQDTRGG-ZJUUUORDSA-N
XLogP1.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 51.81
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

4,8-Dimethyl-7-nonen-2-ol
CID 162418
(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol
CID 10608259
6-Octene-1,3-diol, 3,7-dimethyl-, (3R)-
CID 11805222
3,7-Dimethyl-6-octene-1,3-diol
CID 13665263
3,7-Dimethyloct-6-en-2-ol
CID 85677
1-[Tert-butyl(dimethyl)silyl]oxy-3-fluoro-3,7-dimethyloct-6-en-2-ol
CID 15092897
(3R,4S)-3,7-dimethyloct-6-ene-1,4-diol
CID 162944797
(3S,4S)-3,7-dimethyloct-6-ene-1,4-diol
CID 162944798
(2S,3R)-3,7-dimethyloct-6-ene-1,2-diol
CID 10241264
(2S,3S)-3,7-dimethyloct-6-ene-1,2-diol
CID 11095092
2,6-Dimethyl-5-hepten-1,2-diol
CID 10820844
Hydrate citronellol
CID 74069754

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol?
The IUPAC name of (2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol (CID 15881149) is (2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol.
What is the SMILES notation for (2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol?
The canonical SMILES for (2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol is CC(C)=CCC[C@](C)(F)[C@H](O)CO.
What is the InChIKey of (2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol?
The InChIKey is GMYZJGWYQDTRGG-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19FO2/c1-8(2)5-4-6-10(3,11)9(13)7-12/h5,9,12-13H,4,6-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of (2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol?
(2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol has a molecular weight of 190.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-fluoro-3,7-dimethyloct-6-ene-1,2-diol is sourced from PubChem (CID 15881149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).