(5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene

C15H24F2 — CID 174089278

IUPAC(5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene
SMILESC=C(C)C(C)(C)C(/C(C)=C(/C)F)[C@@H](F)/C=C/C
InChIInChI=1S/C15H24F2/c1-8-9-13(17)14(11(4)12(5)16)15(6,7)10(2)3/h8-9,13-14H,2H2,1,3-7H3/b9-8+,12-11-/t13-,14?/m0/s1
InChIKeySVZVQLLGOIZBBF-WQHXFIQLSA-N
MW242.35 g/mol
LogP5.38
Rot. Bonds5

About (5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene

(5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene (PubChem CID 174089278) has the molecular formula C15H24F2 and a molecular weight of 242.35 g/mol. Its IUPAC name is (5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene.

Molecular Properties

Compound Name(5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene
PubChem CID174089278
Molecular FormulaC15H24F2
Molecular Weight242.35 g/mol
Exact Mass242.18
IUPAC Name(5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene
SMILESC=C(C)C(C)(C)C(/C(C)=C(/C)F)[C@@H](F)/C=C/C
InChIInChI=1S/C15H24F2/c1-8-9-13(17)14(11(4)12(5)16)15(6,7)10(2)3/h8-9,13-14H,2H2,1,3-7H3/b9-8+,12-11-/t13-,14?/m0/s1
InChIKeySVZVQLLGOIZBBF-WQHXFIQLSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.35
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene with MolForge

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Related Compounds

(3R,4S,5E)-2,4-dimethylhepta-1,5-dien-3-ol
CID 11007995
2,3,4,4,5-pentamethyl-3-propan-2-ylocta-1,6-diene
CID 91434462
(E,3R)-2,2-dimethylhex-4-en-3-ol
CID 11446339
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
1-chloro-1,1-difluoroethane;1,1-difluoroethene;hydrochloride
CID 157459309
3,4,5-trifluoro-2-methylhexa-1,4-diene
CID 175386742
(5E)-3-methylhepta-1,5-diene-3,4-diol
CID 130121996
(5Z)-3-fluoro-4-methylhepta-1,5-diene
CID 143849032
(Z,3S,4S)-hept-5-ene-3,4-diol
CID 134854667
2-methylocta-1,6-diene-3,5-diol
CID 173315140
(3Z)-2,5-dimethylocta-1,3,6-triene
CID 144587604

Frequently Asked Questions

What is the IUPAC name of (5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene?
The IUPAC name of (5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene (CID 174089278) is (5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene.
What is the SMILES notation for (5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene?
The canonical SMILES for (5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene is C=C(C)C(C)(C)C(/C(C)=C(/C)F)[C@@H](F)/C=C/C.
What is the InChIKey of (5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene?
The InChIKey is SVZVQLLGOIZBBF-WQHXFIQLSA-N. The full InChI is InChI=1S/C15H24F2/c1-8-9-13(17)14(11(4)12(5)16)15(6,7)10(2)3/h8-9,13-14H,2H2,1,3-7H3/b9-8+,12-11-/t13-,14?/m0/s1.
What are the key properties of (5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene?
(5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene has a molecular weight of 242.35 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6E)-5-fluoro-4-[(Z)-3-fluorobut-2-en-2-yl]-2,3,3-trimethylocta-1,6-diene is sourced from PubChem (CID 174089278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).