(2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol

C10H15F3O2 — CID 90721431

IUPAC(2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol
SMILESC=CCC(=CC[C@H](O)[C@@H](C)O)C(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-3-4-8(10(11,12)13)5-6-9(15)7(2)14/h3,5,7,9,14-15H,1,4,6H2,2H3/t7-,9+/m1/s1
InChIKeyLJNBHTMBYYNEAK-APPZFPTMSA-N
MW224.22 g/mol
LogP2.18
Rot. Bonds5

About (2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol

(2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol (PubChem CID 90721431) has the molecular formula C10H15F3O2 and a molecular weight of 224.22 g/mol. Its IUPAC name is (2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol
PubChem CID90721431
Molecular FormulaC10H15F3O2
Molecular Weight224.22 g/mol
Exact Mass224.10
IUPAC Name(2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol
SMILESC=CCC(=CC[C@H](O)[C@@H](C)O)C(F)(F)F
InChIInChI=1S/C10H15F3O2/c1-3-4-8(10(11,12)13)5-6-9(15)7(2)14/h3,5,7,9,14-15H,1,4,6H2,2H3/t7-,9+/m1/s1
InChIKeyLJNBHTMBYYNEAK-APPZFPTMSA-N
XLogP2.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 52.18
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

4,4,5-Trifluoro-6-methylhepta-1,5-dien-3-ol
CID 12082274
(E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol
CID 134965073
(2R)-1,1-difluoro-6-methylhept-5-en-2-ol
CID 10535014
(2S)-1,1-difluoro-6-methylhept-5-en-2-ol
CID 10535015
(2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol
CID 10631266
(2S)-1,1,1-trifluoro-6-methylhept-5-en-2-ol
CID 10631267
(2R,3S,5E)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol
CID 57737825
(3S,5E)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol
CID 88283532
(3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol
CID 89119642
(Z,2R,3R,4Z)-4-(1-fluoroethylidene)hept-5-ene-2,3-diol
CID 90436494
7,7,7-Trifluorohept-4-ene-1,2-diol
CID 91273143
3,3-Difluoro-4-methylocta-4,6-dien-2-ol
CID 123329542

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol?
The IUPAC name of (2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol (CID 90721431) is (2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol.
What is the SMILES notation for (2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol?
The canonical SMILES for (2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol is C=CCC(=CC[C@H](O)[C@@H](C)O)C(F)(F)F.
What is the InChIKey of (2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol?
The InChIKey is LJNBHTMBYYNEAK-APPZFPTMSA-N. The full InChI is InChI=1S/C10H15F3O2/c1-3-4-8(10(11,12)13)5-6-9(15)7(2)14/h3,5,7,9,14-15H,1,4,6H2,2H3/t7-,9+/m1/s1.
What are the key properties of (2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol?
(2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol has a molecular weight of 224.22 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol is sourced from PubChem (CID 90721431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).