1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane

C15H22F2O — CID 143291802

IUPAC1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane
SMILESC=C/C(F)=C(/F)C(=C)OCC1CCC(CC)CC1
InChIInChI=1S/C15H22F2O/c1-4-12-6-8-13(9-7-12)10-18-11(3)15(17)14(16)5-2/h5,12-13H,2-4,6-10H2,1H3/b15-14-
InChIKeyWELUFWOYIMPDIX-PFONDFGASA-N
MW256.34 g/mol
LogP5.07
Rot. Bonds6

About 1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane

1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane (PubChem CID 143291802) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane.

Molecular Properties

Compound Name1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane
PubChem CID143291802
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane
SMILESC=C/C(F)=C(/F)C(=C)OCC1CCC(CC)CC1
InChIInChI=1S/C15H22F2O/c1-4-12-6-8-13(9-7-12)10-18-11(3)15(17)14(16)5-2/h5,12-13H,2-4,6-10H2,1H3/b15-14-
InChIKeyWELUFWOYIMPDIX-PFONDFGASA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.34
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(3Z)-3,4-difluoro-5-[(4-methylcyclohexyl)methoxy]hexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane;ethane
CID 143291818
1-[[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 143286437
1-[[(3Z)-3,4-difluoro-5-methylidenehepta-1,3-dien-2-yl]oxymethyl]-4-propylcyclohexane
CID 145027741
ethenol;ethylcyclopropane
CID 18331953
(3Z)-5-(cyclohexylmethoxy)-3,4-difluorohexa-1,3,5-trien-2-ol
CID 126727548
bis(but-3-en-2-one);1,4-diethylcyclohexane;ethene;propane
CID 145237669
1-ethyl-4-[2-[4-(prop-2-enoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 19899765
2-methyl-5-[[(3Z,7Z)-3,4,7,8-tetrafluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]oxymethyl]oxane
CID 145301366
N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 62139739
ethane;1-ethenyl-4-[[(1Z,3Z)-4-[(4-ethenylcyclohexyl)methoxy]-2,3-difluorohexa-1,3,5-trienoxy]methyl]cyclohexane
CID 143291793
1-[(4Z)-4,5-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-4-ethylcyclohexane
CID 143959577
(3E,5E)-6-(cyclopropylmethoxy)hepta-1,3,5-trien-3-ol
CID 144936918

Frequently Asked Questions

What is the IUPAC name of 1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane?
The IUPAC name of 1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane (CID 143291802) is 1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane.
What is the SMILES notation for 1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane?
The canonical SMILES for 1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane is C=C/C(F)=C(/F)C(=C)OCC1CCC(CC)CC1.
What is the InChIKey of 1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane?
The InChIKey is WELUFWOYIMPDIX-PFONDFGASA-N. The full InChI is InChI=1S/C15H22F2O/c1-4-12-6-8-13(9-7-12)10-18-11(3)15(17)14(16)5-2/h5,12-13H,2-4,6-10H2,1H3/b15-14-.
What are the key properties of 1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane?
1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane has a molecular weight of 256.34 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3Z)-3,4-difluorohexa-1,3,5-trien-2-yl]oxymethyl]-4-ethylcyclohexane is sourced from PubChem (CID 143291802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).