2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene

C9H8F4O — CID 131169258

IUPAC2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene
SMILESCCc1c(F)cccc1OC(F)(F)F
InChIInChI=1S/C9H8F4O/c1-2-6-7(10)4-3-5-8(6)14-9(11,12)13/h3-5H,2H2,1H3
InChIKeyGNPUEWMSBIRLCB-UHFFFAOYSA-N
MW208.15 g/mol
LogP3.29
Rot. Bonds2

About 2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene

2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene (PubChem CID 131169258) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is 2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene
PubChem CID131169258
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene
SMILESCCc1c(F)cccc1OC(F)(F)F
InChIInChI=1S/C9H8F4O/c1-2-6-7(10)4-3-5-8(6)14-9(11,12)13/h3-5H,2H2,1H3
InChIKeyGNPUEWMSBIRLCB-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene?
The IUPAC name of 2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene (CID 131169258) is 2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene?
The canonical SMILES for 2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene is CCc1c(F)cccc1OC(F)(F)F.
What is the InChIKey of 2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene?
The InChIKey is GNPUEWMSBIRLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c1-2-6-7(10)4-3-5-8(6)14-9(11,12)13/h3-5H,2H2,1H3.
What are the key properties of 2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene?
2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene has a molecular weight of 208.15 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 131169258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).