(3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene

C9H14F2O — CID 130390103

IUPAC(3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene
SMILESC=C/C(C)=C\CCOCC(F)F
InChIInChI=1S/C9H14F2O/c1-3-8(2)5-4-6-12-7-9(10)11/h3,5,9H,1,4,6-7H2,2H3/b8-5-
InChIKeyMFTXUMZMEVVDJA-YVMONPNESA-N
MW176.21 g/mol
LogP2.79
Rot. Bonds6

About (3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene

(3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene (PubChem CID 130390103) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is (3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene.

Molecular Properties

Compound Name(3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene
PubChem CID130390103
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene
SMILESC=C/C(C)=C\CCOCC(F)F
InChIInChI=1S/C9H14F2O/c1-3-8(2)5-4-6-12-7-9(10)11/h3,5,9H,1,4,6-7H2,2H3/b8-5-
InChIKeyMFTXUMZMEVVDJA-YVMONPNESA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-Ethenyl-6-methoxyhexa-1,3-diene
CID 134835479
5-(Methoxymethyl)-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 89270545
2-Methyl-4-(2,2,2-trifluoroethoxy)penta-1,3-diene
CID 91122464
4-(Trifluoromethyl)hepta-3,5-dien-1-ol
CID 123281466
5-(Trifluoromethoxymethyl)hepta-1,3-diene
CID 123311257
(4E)-7-methyl-4-(trifluoromethoxy)octa-1,4,6-triene
CID 126745211
2-Ethenyl-3-fluoro-5-(2-methoxyethyl)cyclohepta-1,3,5-triene
CID 129180605
(2Z,4Z,6E)-6-(fluoromethylidene)-8-methoxyocta-2,4-diene
CID 130308041
(5Z)-1-(difluoromethoxy)-5-methylocta-3,5-diene
CID 134365653
(3E)-4-[ethoxy(difluoro)methyl]-6-methylhepta-1,3,5-triene
CID 142382018
(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene
CID 142987715
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;trifluoro(methoxy)methane
CID 143337132

Frequently Asked Questions

What is the IUPAC name of (3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene?
The IUPAC name of (3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene (CID 130390103) is (3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene.
What is the SMILES notation for (3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene?
The canonical SMILES for (3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene is C=C/C(C)=C\CCOCC(F)F.
What is the InChIKey of (3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene?
The InChIKey is MFTXUMZMEVVDJA-YVMONPNESA-N. The full InChI is InChI=1S/C9H14F2O/c1-3-8(2)5-4-6-12-7-9(10)11/h3,5,9H,1,4,6-7H2,2H3/b8-5-.
What are the key properties of (3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene?
(3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene has a molecular weight of 176.21 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6-(2,2-difluoroethoxy)-3-methylhexa-1,3-diene is sourced from PubChem (CID 130390103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).