1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene

C13H16F2O — CID 155580233

IUPAC1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene
SMILESC=CC(F)(F)CCOc1ccc(C)cc1C
InChIInChI=1S/C13H16F2O/c1-4-13(14,15)7-8-16-12-6-5-10(2)9-11(12)3/h4-6,9H,1,7-8H2,2-3H3
InChIKeyVOXLNMPHAWNUOW-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.89
Rot. Bonds5

About 1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene

1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene (PubChem CID 155580233) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene
PubChem CID155580233
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene
SMILESC=CC(F)(F)CCOc1ccc(C)cc1C
InChIInChI=1S/C13H16F2O/c1-4-13(14,15)7-8-16-12-6-5-10(2)9-11(12)3/h4-6,9H,1,7-8H2,2-3H3
InChIKeyVOXLNMPHAWNUOW-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-1-pent-4-enoxybenzene
CID 64763519
2,4-dimethyl-1-prop-2-enoxybenzene
CID 3023179
1-(2,2-difluoropropoxy)-2,4-dimethylbenzene
CID 121391034
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499
2-(2,4-dimethylphenoxy)ethyl prop-2-enoate
CID 58160672
3-(2,4-dimethylphenoxy)propan-1-amine
CID 14025831
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
1-[3-(2,4-dimethylphenoxy)propoxy]-2-methoxy-4-methylbenzene
CID 2284068
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
1-(3-bromobutoxy)-2,4-dimethylbenzene
CID 141270255
1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354127

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene?
The IUPAC name of 1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene (CID 155580233) is 1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene?
The canonical SMILES for 1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene is C=CC(F)(F)CCOc1ccc(C)cc1C.
What is the InChIKey of 1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene?
The InChIKey is VOXLNMPHAWNUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O/c1-4-13(14,15)7-8-16-12-6-5-10(2)9-11(12)3/h4-6,9H,1,7-8H2,2-3H3.
What are the key properties of 1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene?
1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene has a molecular weight of 226.27 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropent-4-enoxy)-2,4-dimethylbenzene is sourced from PubChem (CID 155580233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).