(4,4-difluoro-3-methoxybut-3-enyl)benzene

C11H12F2O — CID 10943449

IUPAC(4,4-difluoro-3-methoxybut-3-enyl)benzene
SMILESCOC(CCc1ccccc1)=C(F)F
InChIInChI=1S/C11H12F2O/c1-14-10(11(12)13)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyZGOFADLQWYSHMH-UHFFFAOYSA-N
MW198.21 g/mol
LogP3.37
Rot. Bonds4

About (4,4-difluoro-3-methoxybut-3-enyl)benzene

(4,4-difluoro-3-methoxybut-3-enyl)benzene (PubChem CID 10943449) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is (4,4-difluoro-3-methoxybut-3-enyl)benzene.

Molecular Properties

Compound Name(4,4-difluoro-3-methoxybut-3-enyl)benzene
PubChem CID10943449
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name(4,4-difluoro-3-methoxybut-3-enyl)benzene
SMILESCOC(CCc1ccccc1)=C(F)F
InChIInChI=1S/C11H12F2O/c1-14-10(11(12)13)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyZGOFADLQWYSHMH-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methyl phenethyl ether
CID 19089
2-(2-Phenylethyl)oxirane
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Butyl phenethyl ether
CID 79240
Benzene, [2-(1-methylethoxy)ethyl]-
CID 106442
(3-Methoxy-2-methylpropyl)benzene
CID 22336876
2-Butanol, 4-phenyl-1,1,1-trifluoro-2-trifluoromethyl-
CID 57907
(3-Ethoxypropyl)benzene
CID 79929
1-(Perfluoropropyl)-5-phenylpentanol
CID 25137230
3-(2-Methoxypropan-2-ylperoxy)propylbenzene
CID 11064080
1,1,1-Trifluoro-3-phenylpropan-2-ol
CID 2781530
Benzene, (2-(1,1-dimethylethoxy)ethyl)-
CID 76884

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3-methoxybut-3-enyl)benzene?
The IUPAC name of (4,4-difluoro-3-methoxybut-3-enyl)benzene (CID 10943449) is (4,4-difluoro-3-methoxybut-3-enyl)benzene.
What is the SMILES notation for (4,4-difluoro-3-methoxybut-3-enyl)benzene?
The canonical SMILES for (4,4-difluoro-3-methoxybut-3-enyl)benzene is COC(CCc1ccccc1)=C(F)F.
What is the InChIKey of (4,4-difluoro-3-methoxybut-3-enyl)benzene?
The InChIKey is ZGOFADLQWYSHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O/c1-14-10(11(12)13)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of (4,4-difluoro-3-methoxybut-3-enyl)benzene?
(4,4-difluoro-3-methoxybut-3-enyl)benzene has a molecular weight of 198.21 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3-methoxybut-3-enyl)benzene is sourced from PubChem (CID 10943449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).