[(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane

C14H20F2O — CID 142377058

IUPAC[(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane
SMILESC=C(C)/C(F)=C(/F)C(=C)OCC1CCCCC1
InChIInChI=1S/C14H20F2O/c1-10(2)13(15)14(16)11(3)17-9-12-7-5-4-6-8-12/h12H,1,3-9H2,2H3/b14-13-
InChIKeyLWYHPHDADUESGV-YPKPFQOOSA-N
MW242.31 g/mol
LogP4.82
Rot. Bonds5

About [(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane

[(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane (PubChem CID 142377058) has the molecular formula C14H20F2O and a molecular weight of 242.31 g/mol. Its IUPAC name is [(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane.

Molecular Properties

Compound Name[(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane
PubChem CID142377058
Molecular FormulaC14H20F2O
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name[(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane
SMILESC=C(C)/C(F)=C(/F)C(=C)OCC1CCCCC1
InChIInChI=1S/C14H20F2O/c1-10(2)13(15)14(16)11(3)17-9-12-7-5-4-6-8-12/h12H,1,3-9H2,2H3/b14-13-
InChIKeyLWYHPHDADUESGV-YPKPFQOOSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 54.82
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'}

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Related Compounds

1-[1-(2-Ethylpentoxy)ethyl]-5-fluoro-4-(fluoromethyl)cyclohexa-1,3-diene
CID 70950800
6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethyl-3-methyl-3,4-dihydro-2H-pyran
CID 71070335
5-(2-fluoroethyl)-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070344
5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247475
1-[(3Z,5Z)-4-methylhepta-1,3,5-trien-3-yl]oxy-4-(trifluoromethyl)cyclohexane
CID 90059064
1-Methyl-4-[2-(trifluoromethyl)hexa-1,3,5-trien-3-yloxy]cyclohexane
CID 123559813
[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane
CID 126727563
1-[Difluoro-(4-methylcyclohexyl)oxymethyl]-5,5,6,6-tetrafluoro-4-methylcyclohexa-1,3-diene
CID 137537828
5,5,6,6-Tetrafluoro-1-methyl-4-[(4-methylcyclohexyl)oxymethyl]cyclohexa-1,3-diene
CID 137537933
3-(3-Cyclohexylpropoxy)-1,5-difluoro-6-methylcyclohexa-1,3-diene
CID 141896225
1-[[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 141967579
1-[[(1Z,3E,6E)-7-ethoxy-1,2-difluorohepta-1,3,6-trien-3-yl]oxymethyl]-4-methylcyclohexane
CID 143291823

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane?
The IUPAC name of [(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane (CID 142377058) is [(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane.
What is the SMILES notation for [(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane?
The canonical SMILES for [(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane is C=C(C)/C(F)=C(/F)C(=C)OCC1CCCCC1.
What is the InChIKey of [(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane?
The InChIKey is LWYHPHDADUESGV-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H20F2O/c1-10(2)13(15)14(16)11(3)17-9-12-7-5-4-6-8-12/h12H,1,3-9H2,2H3/b14-13-.
What are the key properties of [(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane?
[(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane has a molecular weight of 242.31 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-3,4-difluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethylcyclohexane is sourced from PubChem (CID 142377058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).