1,2,4-trifluoro-3,5-dimethoxybenzene

C8H7F3O2 — CID 10535733

IUPAC1,2,4-trifluoro-3,5-dimethoxybenzene
SMILESCOc1cc(F)c(F)c(OC)c1F
InChIInChI=1S/C8H7F3O2/c1-12-5-3-4(9)6(10)8(13-2)7(5)11/h3H,1-2H3
InChIKeyAXSBVNAPIRNPHN-UHFFFAOYSA-N
MW192.14 g/mol
LogP2.12
Rot. Bonds2

About 1,2,4-trifluoro-3,5-dimethoxybenzene

1,2,4-trifluoro-3,5-dimethoxybenzene (PubChem CID 10535733) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is 1,2,4-trifluoro-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1,2,4-trifluoro-3,5-dimethoxybenzene
PubChem CID10535733
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name1,2,4-trifluoro-3,5-dimethoxybenzene
SMILESCOc1cc(F)c(F)c(OC)c1F
InChIInChI=1S/C8H7F3O2/c1-12-5-3-4(9)6(10)8(13-2)7(5)11/h3H,1-2H3
InChIKeyAXSBVNAPIRNPHN-UHFFFAOYSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2,4,5-trifluoro-3-methoxyphenyl) methanesulfonate
CID 88542094
CID 87823096
CID 87823096
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
1-ethyl-2,4,5-trifluoro-3-methoxybenzene
CID 130384475
2-(2,3-difluoro-5,6-dimethoxyphenyl)acetic acid
CID 117335777
(2,3,6-trifluoro-5-methoxyphenyl)methanamine
CID 117282112
2-(2,4,5-trifluoro-3-methoxyphenyl)propan-2-ol
CID 117113957
2,4,5-trifluoro-3-methoxybenzoyl chloride
CID 2775281
5-(chloromethyl)-1,2-difluoro-3-methoxybenzene
CID 130938766
(2,6-difluoro-3-methoxyphenyl)-bis(2,3,5-trifluoro-6-methoxyphenyl)alumane
CID 177045728
2-bromo-3,6-difluoro-4-methoxyaniline
CID 106701642

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluoro-3,5-dimethoxybenzene?
The IUPAC name of 1,2,4-trifluoro-3,5-dimethoxybenzene (CID 10535733) is 1,2,4-trifluoro-3,5-dimethoxybenzene.
What is the SMILES notation for 1,2,4-trifluoro-3,5-dimethoxybenzene?
The canonical SMILES for 1,2,4-trifluoro-3,5-dimethoxybenzene is COc1cc(F)c(F)c(OC)c1F.
What is the InChIKey of 1,2,4-trifluoro-3,5-dimethoxybenzene?
The InChIKey is AXSBVNAPIRNPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2/c1-12-5-3-4(9)6(10)8(13-2)7(5)11/h3H,1-2H3.
What are the key properties of 1,2,4-trifluoro-3,5-dimethoxybenzene?
1,2,4-trifluoro-3,5-dimethoxybenzene has a molecular weight of 192.14 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-3,5-dimethoxybenzene is sourced from PubChem (CID 10535733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).