2-fluoro-1-methoxy-3-(trifluoromethyl)benzene

C8H6F4O — CID 2774768

IUPAC2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
SMILESCOc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C8H6F4O/c1-13-6-4-2-3-5(7(6)9)8(10,11)12/h2-4H,1H3
InChIKeyYZZDEYSCSPZMIG-UHFFFAOYSA-N
MW194.13 g/mol
LogP2.85
Rot. Bonds1

About 2-fluoro-1-methoxy-3-(trifluoromethyl)benzene

2-fluoro-1-methoxy-3-(trifluoromethyl)benzene (PubChem CID 2774768) has the molecular formula C8H6F4O and a molecular weight of 194.13 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
PubChem CID2774768
Molecular FormulaC8H6F4O
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
SMILESCOc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C8H6F4O/c1-13-6-4-2-3-5(7(6)9)8(10,11)12/h2-4H,1H3
InChIKeyYZZDEYSCSPZMIG-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-methoxy-6-(trifluoromethyl)benzenethiol
CID 18417566
2-(2-fluoro-3-methoxyphenyl)-2-hydroxypropanal
CID 82805418
2-isocyanato-1-methoxy-3-(trifluoromethyl)benzene
CID 170997128
1-[2-methoxy-6-(trifluoromethyl)phenyl]ethanamine
CID 84684450
[2-fluoro-3-(trifluoromethyl)phenyl] 2,2,2-trifluoroacetate
CID 91695328
1-(3-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82805505
2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine
CID 82808256
1-[2-methoxy-6-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117369605
1-(2-bromophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanamine
CID 82807426
2-(2-fluoro-3-methoxyphenyl)-1-methoxy-3-methylbutan-2-ol
CID 82806354
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluorophenyl)propan-1-amine
CID 115996414

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-3-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1-methoxy-3-(trifluoromethyl)benzene (CID 2774768) is 2-fluoro-1-methoxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1-methoxy-3-(trifluoromethyl)benzene is COc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-1-methoxy-3-(trifluoromethyl)benzene?
The InChIKey is YZZDEYSCSPZMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O/c1-13-6-4-2-3-5(7(6)9)8(10,11)12/h2-4H,1H3.
What are the key properties of 2-fluoro-1-methoxy-3-(trifluoromethyl)benzene?
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene has a molecular weight of 194.13 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 2774768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).