1-ethyl-2,4,5-trifluoro-3-methoxybenzene

C9H9F3O — CID 130384475

IUPAC1-ethyl-2,4,5-trifluoro-3-methoxybenzene
SMILESCCc1cc(F)c(F)c(OC)c1F
InChIInChI=1S/C9H9F3O/c1-3-5-4-6(10)8(12)9(13-2)7(5)11/h4H,3H2,1-2H3
InChIKeyHUCVFLLVMFPEIY-UHFFFAOYSA-N
MW190.16 g/mol
LogP2.67
Rot. Bonds2

About 1-ethyl-2,4,5-trifluoro-3-methoxybenzene

1-ethyl-2,4,5-trifluoro-3-methoxybenzene (PubChem CID 130384475) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 1-ethyl-2,4,5-trifluoro-3-methoxybenzene.

Molecular Properties

Compound Name1-ethyl-2,4,5-trifluoro-3-methoxybenzene
PubChem CID130384475
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name1-ethyl-2,4,5-trifluoro-3-methoxybenzene
SMILESCCc1cc(F)c(F)c(OC)c1F
InChIInChI=1S/C9H9F3O/c1-3-5-4-6(10)8(12)9(13-2)7(5)11/h4H,3H2,1-2H3
InChIKeyHUCVFLLVMFPEIY-UHFFFAOYSA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4,5-trifluoro-3-methoxyphenyl)propanal
CID 117117805
1-ethyl-2,3-difluoro-5-methoxybenzene
CID 149025981
4-[(2,4,5-trifluoro-3-methoxyphenyl)methyl]piperidine
CID 117117929
2,4,5-trifluoro-3-methoxybenzoyl chloride
CID 2775281
1,2,4-trifluoro-3,5-dimethoxybenzene
CID 10535733
1-(chloromethyl)-3,4,5-trifluoro-2-methoxybenzene
CID 131010984
1,2-difluoro-5-(isocyanatomethyl)-3,4-dimethoxybenzene
CID 117329800
1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene
CID 59139832
(2,4,5-trifluoro-3-methoxyphenyl) methanesulfonate
CID 88542094
N-butyl-2,4,5-trifluoro-3-methoxybenzamide
CID 91730406
3-ethyl-4,5-difluorophenol
CID 147335111
(4-chloro-3,5-difluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 117469959

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4,5-trifluoro-3-methoxybenzene?
The IUPAC name of 1-ethyl-2,4,5-trifluoro-3-methoxybenzene (CID 130384475) is 1-ethyl-2,4,5-trifluoro-3-methoxybenzene.
What is the SMILES notation for 1-ethyl-2,4,5-trifluoro-3-methoxybenzene?
The canonical SMILES for 1-ethyl-2,4,5-trifluoro-3-methoxybenzene is CCc1cc(F)c(F)c(OC)c1F.
What is the InChIKey of 1-ethyl-2,4,5-trifluoro-3-methoxybenzene?
The InChIKey is HUCVFLLVMFPEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c1-3-5-4-6(10)8(12)9(13-2)7(5)11/h4H,3H2,1-2H3.
What are the key properties of 1-ethyl-2,4,5-trifluoro-3-methoxybenzene?
1-ethyl-2,4,5-trifluoro-3-methoxybenzene has a molecular weight of 190.16 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4,5-trifluoro-3-methoxybenzene is sourced from PubChem (CID 130384475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).