6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran

C20H26F4O — CID 89259496

IUPAC6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESC=C(/C=C\C1=C(C)CC(C)C(C(F)(F)F)O1)C/C=C\C(C)=C/C(C)F
InChIInChI=1S/C20H26F4O/c1-13(7-6-8-14(2)11-17(5)21)9-10-18-15(3)12-16(4)19(25-18)20(22,23)24/h6,8-11,16-17,19H,1,7,12H2,2-5H3/b8-6-,10-9-,14-11-
InChIKeyVVMAAOGVNFYAHT-VCXOSQJCSA-N
MW358.42 g/mol
LogP6.61
Rot. Bonds6

About 6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran

6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran (PubChem CID 89259496) has the molecular formula C20H26F4O and a molecular weight of 358.42 g/mol. Its IUPAC name is 6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran
PubChem CID89259496
Molecular FormulaC20H26F4O
Molecular Weight358.42 g/mol
Exact Mass358.19
IUPAC Name6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran
SMILESC=C(/C=C\C1=C(C)CC(C)C(C(F)(F)F)O1)C/C=C\C(C)=C/C(C)F
InChIInChI=1S/C20H26F4O/c1-13(7-6-8-14(2)11-17(5)21)9-10-18-15(3)12-16(4)19(25-18)20(22,23)24/h6,8-11,16-17,19H,1,7,12H2,2-5H3/b8-6-,10-9-,14-11-
InChIKeyVVMAAOGVNFYAHT-VCXOSQJCSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The IUPAC name of 6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran (CID 89259496) is 6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran.
What is the SMILES notation for 6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The canonical SMILES for 6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran is C=C(/C=C\C1=C(C)CC(C)C(C(F)(F)F)O1)C/C=C\C(C)=C/C(C)F.
What is the InChIKey of 6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran?
The InChIKey is VVMAAOGVNFYAHT-VCXOSQJCSA-N. The full InChI is InChI=1S/C20H26F4O/c1-13(7-6-8-14(2)11-17(5)21)9-10-18-15(3)12-16(4)19(25-18)20(22,23)24/h6,8-11,16-17,19H,1,7,12H2,2-5H3/b8-6-,10-9-,14-11-.
What are the key properties of 6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran?
6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran has a molecular weight of 358.42 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1Z,5Z,7Z)-9-fluoro-7-methyl-3-methylidenedeca-1,5,7-trienyl]-3,5-dimethyl-2-(trifluoromethyl)-3,4-dihydro-2H-pyran is sourced from PubChem (CID 89259496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).