1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene

C8H5F5O — CID 130785750

IUPAC1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene
SMILESCOc1c(F)cc(C(F)F)c(F)c1F
InChIInChI=1S/C8H5F5O/c1-14-7-4(9)2-3(8(12)13)5(10)6(7)11/h2,8H,1H3
InChIKeyZWUCQFBLNCZGTO-UHFFFAOYSA-N
MW212.12 g/mol
LogP3.05
Rot. Bonds2

About 1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene

1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene (PubChem CID 130785750) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is 1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene
PubChem CID130785750
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene
SMILESCOc1c(F)cc(C(F)F)c(F)c1F
InChIInChI=1S/C8H5F5O/c1-14-7-4(9)2-3(8(12)13)5(10)6(7)11/h2,8H,1H3
InChIKeyZWUCQFBLNCZGTO-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 53.05
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

ethane;1,3,5-trifluoro-2-methoxy-4-methylbenzene
CID 168911616
1,3-difluoro-5-iodo-2,4-dimethoxybenzene
CID 50998225
6-(4-aminobutan-2-yl)-2,4-difluoro-3-methoxyphenol
CID 84794194
4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine
CID 130099672
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 130080557
1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene
CID 131191321
[4-(difluoromethyl)-5-fluoro-6-methoxy-2-pyridinyl]methanol
CID 118846106
3-(difluoromethyl)-5-fluoro-6-methoxy-1H-pyridin-2-one
CID 130079270
1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine
CID 84680949
1-(3-chloro-5-fluoro-2,4-dimethoxyphenyl)ethanamine
CID 84796637
5-(difluoromethyl)-3-fluoro-4-methoxypyridine-2-carbonyl chloride
CID 133105414
5-(2-amino-1-hydroxyethyl)-3-fluoro-2-methoxy-6-methylphenol
CID 117306460

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene?
The IUPAC name of 1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene (CID 130785750) is 1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene.
What is the SMILES notation for 1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene?
The canonical SMILES for 1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene is COc1c(F)cc(C(F)F)c(F)c1F.
What is the InChIKey of 1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene?
The InChIKey is ZWUCQFBLNCZGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O/c1-14-7-4(9)2-3(8(12)13)5(10)6(7)11/h2,8H,1H3.
What are the key properties of 1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene?
1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene has a molecular weight of 212.12 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene is sourced from PubChem (CID 130785750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).