(8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione

C18H27F3O2 — CID 88632702

IUPAC(8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione
SMILESCC(C)=CCC/C(C)=C\CCC(=O)CC(=O)C(CF)(CF)CF
InChIInChI=1S/C18H27F3O2/c1-14(2)6-4-7-15(3)8-5-9-16(22)10-17(23)18(11-19,12-20)13-21/h6,8H,4-5,7,9-13H2,1-3H3/b15-8-
InChIKeyMZCATYQTLVCCMO-NVNXTCNLSA-N
MW332.41 g/mol
LogP4.88
Rot. Bonds12

About (8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione

(8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione (PubChem CID 88632702) has the molecular formula C18H27F3O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione.

Molecular Properties

Compound Name(8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione
PubChem CID88632702
Molecular FormulaC18H27F3O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione
SMILESCC(C)=CCC/C(C)=C\CCC(=O)CC(=O)C(CF)(CF)CF
InChIInChI=1S/C18H27F3O2/c1-14(2)6-4-7-15(3)8-5-9-16(22)10-17(23)18(11-19,12-20)13-21/h6,8H,4-5,7,9-13H2,1-3H3/b15-8-
InChIKeyMZCATYQTLVCCMO-NVNXTCNLSA-N
XLogP4.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione with MolForge

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Related Compounds

7,11-dimethyl-3-oxododeca-6,10-dienoic acid
CID 71333058
1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
CID 72726260
ethyl (6Z)-7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 11086708
ethyl (6E,10E)-7,11,15-trimethyl-3-oxohexadeca-6,10,14-trienoate
CID 10969697
ethyl 7,11-dimethyl-3-oxododeca-6,10-dienoate
CID 54120364
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(5E,9E,13E,17E)-1,1,1-trifluoro-5,9,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-one
CID 10813531
(4E,8E,12E,16E)-5,9,13,17,21-pentamethyldocosa-4,8,12,16,20-pentaenoic acid
CID 102141695
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289

Frequently Asked Questions

What is the IUPAC name of (8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione?
The IUPAC name of (8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione (CID 88632702) is (8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione.
What is the SMILES notation for (8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione?
The canonical SMILES for (8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione is CC(C)=CCC/C(C)=C\CCC(=O)CC(=O)C(CF)(CF)CF.
What is the InChIKey of (8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione?
The InChIKey is MZCATYQTLVCCMO-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H27F3O2/c1-14(2)6-4-7-15(3)8-5-9-16(22)10-17(23)18(11-19,12-20)13-21/h6,8H,4-5,7,9-13H2,1-3H3/b15-8-.
What are the key properties of (8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione?
(8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione has a molecular weight of 332.41 g/mol, XLogP of 4.88, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-1-fluoro-2,2-bis(fluoromethyl)-9,13-dimethyltetradeca-8,12-diene-3,5-dione is sourced from PubChem (CID 88632702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).