1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene

C8H5F5O — CID 130935910

IUPAC1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
SMILESFCc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C8H5F5O/c9-4-5-3-6(1-2-7(5)10)14-8(11,12)13/h1-3H,4H2
InChIKeyAVYJKYQIEBTYNW-UHFFFAOYSA-N
MW212.12 g/mol
LogP3.19
Rot. Bonds2

About 1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene

1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene (PubChem CID 130935910) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is 1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
PubChem CID130935910
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene
SMILESFCc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C8H5F5O/c9-4-5-3-6(1-2-7(5)10)14-8(11,12)13/h1-3H,4H2
InChIKeyAVYJKYQIEBTYNW-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanamine
CID 83410120
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
1-[2-fluoro-5-(trifluoromethoxy)phenyl]-2-methylpropan-1-one
CID 58180993
2-fluoro-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118824858
1-(3-chloropropyl)-2-fluoro-4-(trifluoromethoxy)benzene
CID 118813230
[4-fluoro-3-(fluoromethyl)phenyl] benzoate
CID 165144125
[2-fluoro-5-(trifluoromethoxy)phenyl]-dimethylborane
CID 58436952
2-(hydroxymethyl)-4-(trifluoromethoxy)phenol
CID 11694149
2-(3-aminopropyl)-4-(trifluoromethoxy)aniline
CID 170867746
(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propane-1,3-diamine
CID 171216217
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099
[2-chloro-5-(trifluoromethoxy)phenyl]methanamine
CID 118990752

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene (CID 130935910) is 1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene is FCc1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene?
The InChIKey is AVYJKYQIEBTYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F5O/c9-4-5-3-6(1-2-7(5)10)14-8(11,12)13/h1-3H,4H2.
What are the key properties of 1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene?
1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene has a molecular weight of 212.12 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(fluoromethyl)-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 130935910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).