(1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene

C14H20F2O — CID 129196267

IUPAC(1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene
SMILESCCC1(C)/C=C(OCF)/C=C(F)\C=C\CC1C
InChIInChI=1S/C14H20F2O/c1-4-14(3)9-13(17-10-15)8-12(16)7-5-6-11(14)2/h5,7-9,11H,4,6,10H2,1-3H3/b7-5+,12-8+,13-9-
InChIKeyPHQTUJXBTHWBIU-ADYOKBENSA-N
MW242.31 g/mol
LogP4.68
Rot. Bonds3

About (1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene

(1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene (PubChem CID 129196267) has the molecular formula C14H20F2O and a molecular weight of 242.31 g/mol. Its IUPAC name is (1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene
PubChem CID129196267
Molecular FormulaC14H20F2O
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name(1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene
SMILESCCC1(C)/C=C(OCF)/C=C(F)\C=C\CC1C
InChIInChI=1S/C14H20F2O/c1-4-14(3)9-13(17-10-15)8-12(16)7-5-6-11(14)2/h5,7-9,11H,4,6,10H2,1-3H3/b7-5+,12-8+,13-9-
InChIKeyPHQTUJXBTHWBIU-ADYOKBENSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3Z,5Z)-2-(difluoromethoxy)-5-ethylidene-7-methylnona-1,3-diene
CID 88267604
6-Fluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 90959991
1,6-Difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 91509624
8,8-Diethyl-3-fluoro-5-methoxy-2-methylcyclonona-1,3,5-triene
CID 123444530
6-Tert-butyl-5-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123674232
5-Methoxy-8-methyl-1-propan-2-yl-3-(trifluoromethyl)cycloocta-1,3,5-triene
CID 123844485
7-Fluoro-2-methoxy-5-propan-2-ylcyclohepta-1,3-diene
CID 124009091
3-Ethoxy-1,2-difluoro-6-methyl-6-(1-methyl-4-propylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-diene
CID 134377538
5-methyl-5-[(1S,4R)-4-methylcyclohex-2-en-1-yl]-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 141803363
5-Tert-butyl-2-cyclohexa-1,5-dien-1-yloxy-1,3-difluorocyclohexa-1,3-diene
CID 143512935
(3Z)-3,4-difluoro-2-methoxy-6,9-dimethyl-5-methylideneundeca-1,3,10-triene
CID 145231743
5-Tert-butyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 148172449

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene?
The IUPAC name of (1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene (CID 129196267) is (1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene.
What is the SMILES notation for (1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene?
The canonical SMILES for (1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene is CCC1(C)/C=C(OCF)/C=C(F)\C=C\CC1C.
What is the InChIKey of (1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene?
The InChIKey is PHQTUJXBTHWBIU-ADYOKBENSA-N. The full InChI is InChI=1S/C14H20F2O/c1-4-14(3)9-13(17-10-15)8-12(16)7-5-6-11(14)2/h5,7-9,11H,4,6,10H2,1-3H3/b7-5+,12-8+,13-9-.
What are the key properties of (1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene?
(1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene has a molecular weight of 242.31 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-9-ethyl-4-fluoro-2-(fluoromethoxy)-8,9-dimethylcyclonona-1,3,5-triene is sourced from PubChem (CID 129196267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).