1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene

C11H12F2O3 — CID 102291968

IUPAC1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene
SMILESCOCOC(=C(F)F)c1ccc(OC)cc1
InChIInChI=1S/C11H12F2O3/c1-14-7-16-10(11(12)13)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyFGZSAVLDJQCFMX-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.88
Rot. Bonds5

About 1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene

1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene (PubChem CID 102291968) has the molecular formula C11H12F2O3 and a molecular weight of 230.21 g/mol. Its IUPAC name is 1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene
PubChem CID102291968
Molecular FormulaC11H12F2O3
Molecular Weight230.21 g/mol
Exact Mass230.08
IUPAC Name1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene
SMILESCOCOC(=C(F)F)c1ccc(OC)cc1
InChIInChI=1S/C11H12F2O3/c1-14-7-16-10(11(12)13)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3
InChIKeyFGZSAVLDJQCFMX-UHFFFAOYSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]-4-methoxybenzene
CID 102301219
1-[2,2-difluoro-1-(4-fluorophenyl)ethenyl]-4-methoxybenzene
CID 11623099
ethyl (Z)-2,3-difluoro-4-(4-methoxyphenyl)-4-oxobut-2-enoate
CID 102175200
5,5-difluoro-4-(4-methoxyphenyl)pent-4-en-1-ol
CID 15530718
CID 12714057
CID 12714057
methoxymethyl 4-(methoxymethoxy)benzoate
CID 142723008
methoxymethyl 3-(4-methoxyphenyl)-2-methyl-3-oxo-2-phenylpropanoate
CID 174505893
2-(4-methoxybenzoyl)oxypropyl 4-methoxybenzoate
CID 90778073
(4-methoxybenzoyl)oxymethyl 4-methylbenzoate
CID 134487475
[(Z)-1,2-difluoro-2-(4-methoxyphenyl)ethenyl]-trimethylsilane
CID 11322461
(1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
CID 6037096
1-methoxy-4-[4-(methoxymethoxy)phenyl]benzene
CID 58029226

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene?
The IUPAC name of 1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene (CID 102291968) is 1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene is COCOC(=C(F)F)c1ccc(OC)cc1.
What is the InChIKey of 1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene?
The InChIKey is FGZSAVLDJQCFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O3/c1-14-7-16-10(11(12)13)8-3-5-9(15-2)6-4-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene?
1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene has a molecular weight of 230.21 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-difluoro-1-(methoxymethoxy)ethenyl]-4-methoxybenzene is sourced from PubChem (CID 102291968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).