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

C8H6F4O2 — CID 131191321

IUPAC1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene
SMILESCOc1c(F)cc(F)c(OCF)c1F
InChIInChI=1S/C8H6F4O2/c1-13-7-4(10)2-5(11)8(6(7)12)14-3-9/h2H,3H2,1H3
InChIKeyIQUJFNJWKKVIFW-UHFFFAOYSA-N
MW210.13 g/mol
LogP2.42
Rot. Bonds3

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

1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene (PubChem CID 131191321) has the molecular formula C8H6F4O2 and a molecular weight of 210.13 g/mol. Its IUPAC name is 1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene.

Molecular Properties

Compound Name1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene
PubChem CID131191321
Molecular FormulaC8H6F4O2
Molecular Weight210.13 g/mol
Exact Mass210.03
IUPAC Name1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene
SMILESCOc1c(F)cc(F)c(OCF)c1F
InChIInChI=1S/C8H6F4O2/c1-13-7-4(10)2-5(11)8(6(7)12)14-3-9/h2H,3H2,1H3
InChIKeyIQUJFNJWKKVIFW-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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
5-chloro-1,3-difluoro-2-(fluoromethoxy)benzene
CID 130969013
2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene
CID 155575031
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
1-(difluoromethyl)-2,3,5-trifluoro-4-methoxybenzene
CID 130785750
1,5-dichloro-3-fluoro-2-(fluoromethoxy)benzene
CID 118847258
1-(3,5-difluoro-2,6-dimethoxyphenyl)-N-methoxymethanamine
CID 117337456
2,4-diethoxy-1,3-difluoro-5-iodobenzene
CID 50998226
2-bromo-3,5-difluoro-4-methoxyaniline
CID 141136680
1-bromo-2,4-difluoro-3-methoxybenzene
CID 18371109
3,5-difluoro-4-methoxybenzenethiol
CID 50998081

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene?
The IUPAC name of 1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene (CID 131191321) is 1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene.
What is the SMILES notation for 1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene?
The canonical SMILES for 1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene is COc1c(F)cc(F)c(OCF)c1F.
What is the InChIKey of 1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene?
The InChIKey is IQUJFNJWKKVIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O2/c1-13-7-4(10)2-5(11)8(6(7)12)14-3-9/h2H,3H2,1H3.
What are the key properties of 1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene?
1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene has a molecular weight of 210.13 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoro-2-(fluoromethoxy)-4-methoxybenzene is sourced from PubChem (CID 131191321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).