1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene

C10H8F4O — CID 134259620

IUPAC1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene
SMILESC=CCOc1c(C)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H8F4O/c1-3-4-15-10-5(2)6(11)7(12)8(13)9(10)14/h3H,1,4H2,2H3
InChIKeyHIQQWMXWPLHPAC-UHFFFAOYSA-N
MW220.16 g/mol
LogP3.12
Rot. Bonds3

About 1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene

1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene (PubChem CID 134259620) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is 1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene.

Molecular Properties

Compound Name1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene
PubChem CID134259620
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene
SMILESC=CCOc1c(C)c(F)c(F)c(F)c1F
InChIInChI=1S/C10H8F4O/c1-3-4-15-10-5(2)6(11)7(12)8(13)9(10)14/h3H,1,4H2,2H3
InChIKeyHIQQWMXWPLHPAC-UHFFFAOYSA-N
XLogP3.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,5-difluoro-4,6-bis(prop-2-enoxy)benzene-1,3-dicarbonitrile
CID 14177539
3,4-bis(prop-2-enoxy)cyclobut-3-ene-1,2-dione
CID 15663700
ethane;1,2,3,4-tetrafluoro-5-methyl-6-(2,3,6-trifluoro-4,5-dimethylphenyl)peroxybenzene
CID 142023286
N-[2-(2,3,4,5,6-pentafluorophenoxy)ethyl]-2-(2,3,5,6-tetrafluoro-4-methylphenoxy)ethanamine
CID 156647654
ethane;1-ethoxy-2,3,6-trifluoro-4,5-dimethylbenzene
CID 142106522
propane;(2,3,4,5-tetrafluoro-6-methylphenyl) acetate
CID 145302022
3,5-dimethyl-4-prop-2-enoxybenzaldehyde
CID 28932608
5,5-dimethyl-3-[(2,3,5,6-tetrafluoro-4-prop-2-enoxyphenoxy)methylsulfanyl]-4H-1,2-oxazole
CID 155776868
(3,5-dimethyl-2-prop-2-enoxyphenyl)boronic acid
CID 139964809
1-bromo-2-(3,5-dimethyl-2-prop-2-enoxyphenyl)-4,5-difluorobenzene
CID 139964874
1-(difluoromethyl)-2,3-difluoro-5-(fluoromethoxy)-4-methyl-6-propan-2-ylsulfonylbenzene
CID 174169988
ethyl (2,3,4,5-tetrafluoro-6-methylphenyl) carbonate;fluoromethane
CID 143061271

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene?
The IUPAC name of 1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene (CID 134259620) is 1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene.
What is the SMILES notation for 1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene?
The canonical SMILES for 1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene is C=CCOc1c(C)c(F)c(F)c(F)c1F.
What is the InChIKey of 1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene?
The InChIKey is HIQQWMXWPLHPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c1-3-4-15-10-5(2)6(11)7(12)8(13)9(10)14/h3H,1,4H2,2H3.
What are the key properties of 1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene?
1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene has a molecular weight of 220.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrafluoro-5-methyl-6-prop-2-enoxybenzene is sourced from PubChem (CID 134259620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).