(3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene

C12H18F2O — CID 143250931

IUPAC(3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene
SMILESC=C/C=C(OC(F)F)\C(=C/C)CC(C)C
InChIInChI=1S/C12H18F2O/c1-5-7-11(15-12(13)14)10(6-2)8-9(3)4/h5-7,9,12H,1,8H2,2-4H3/b10-6-,11-7+
InChIKeyAWFCDUOGPBZQPE-NAKBGQTNSA-N
MW216.27 g/mol
LogP4.29
Rot. Bonds6

About (3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene

(3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene (PubChem CID 143250931) has the molecular formula C12H18F2O and a molecular weight of 216.27 g/mol. Its IUPAC name is (3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene.

Molecular Properties

Compound Name(3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene
PubChem CID143250931
Molecular FormulaC12H18F2O
Molecular Weight216.27 g/mol
Exact Mass216.13
IUPAC Name(3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene
SMILESC=C/C=C(OC(F)F)\C(=C/C)CC(C)C
InChIInChI=1S/C12H18F2O/c1-5-7-11(15-12(13)14)10(6-2)8-9(3)4/h5-7,9,12H,1,8H2,2-4H3/b10-6-,11-7+
InChIKeyAWFCDUOGPBZQPE-NAKBGQTNSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 54.29
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-Propan-2-yl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 19028649
2,2-difluoro-3-methyl-4,6-dihydro-3H-chromen-6-ide;yttrium
CID 59130026
5-Ethenyl-6,6-difluoro-2-methoxycyclohexa-1,3-diene
CID 70273700
5-[(E)-2-fluoroethenyl]-6-[(Z)-1-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070342
6-[(Z)-1-fluoroprop-1-enyl]-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070397
5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070560
(3Z,5Z)-2-(difluoromethoxy)-5-ethylidene-7-methylnona-1,3-diene
CID 88267604
[(2Z,4E)-4-(1,1-difluorobutoxy)-6-fluorohepta-2,4,6-trienyl]cyclopropane
CID 88953819
5-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 89245166
6-ethenyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247339
5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247343
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247362

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene?
The IUPAC name of (3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene (CID 143250931) is (3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene.
What is the SMILES notation for (3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene?
The canonical SMILES for (3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene is C=C/C=C(OC(F)F)\C(=C/C)CC(C)C.
What is the InChIKey of (3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene?
The InChIKey is AWFCDUOGPBZQPE-NAKBGQTNSA-N. The full InChI is InChI=1S/C12H18F2O/c1-5-7-11(15-12(13)14)10(6-2)8-9(3)4/h5-7,9,12H,1,8H2,2-4H3/b10-6-,11-7+.
What are the key properties of (3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene?
(3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene has a molecular weight of 216.27 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-(difluoromethoxy)-5-ethylidene-7-methylocta-1,3-diene is sourced from PubChem (CID 143250931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).