1-ethyl-4-fluoro-2-(fluoromethoxy)benzene

C9H10F2O — CID 121285035

IUPAC1-ethyl-4-fluoro-2-(fluoromethoxy)benzene
SMILESCCc1ccc(F)cc1OCF
InChIInChI=1S/C9H10F2O/c1-2-7-3-4-8(11)5-9(7)12-6-10/h3-5H,2,6H2,1H3
InChIKeyIDOKPMWVMFOOIC-UHFFFAOYSA-N
MW172.17 g/mol
LogP2.69
Rot. Bonds3

About 1-ethyl-4-fluoro-2-(fluoromethoxy)benzene

1-ethyl-4-fluoro-2-(fluoromethoxy)benzene (PubChem CID 121285035) has the molecular formula C9H10F2O and a molecular weight of 172.17 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-2-(fluoromethoxy)benzene.

Molecular Properties

Compound Name1-ethyl-4-fluoro-2-(fluoromethoxy)benzene
PubChem CID121285035
Molecular FormulaC9H10F2O
Molecular Weight172.17 g/mol
Exact Mass172.07
IUPAC Name1-ethyl-4-fluoro-2-(fluoromethoxy)benzene
SMILESCCc1ccc(F)cc1OCF
InChIInChI=1S/C9H10F2O/c1-2-7-3-4-8(11)5-9(7)12-6-10/h3-5H,2,6H2,1H3
InChIKeyIDOKPMWVMFOOIC-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-4-fluoro-2-(fluoromethoxy)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
2-ethyl-4-fluoro-1-(methoxymethoxy)benzene
CID 177170323
2-ethyl-1,4-difluorobenzene
CID 23202513
2-(2-ethyl-4-fluorophenoxy)ethanamine
CID 152850030
3-(fluoromethoxy)-4-propylaniline
CID 121291374
2-ethyl-1-fluoro-4-(fluoromethoxy)benzene
CID 118671621
ethyl 2-[2-(bromomethyl)-5-fluorophenoxy]acetate
CID 21035356
N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
1-(2-ethyl-5-fluorophenyl)-N-methylmethanamine
CID 84765258
(2-ethyl-5-fluorophenyl)hydrazine
CID 130780548

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-2-(fluoromethoxy)benzene?
The IUPAC name of 1-ethyl-4-fluoro-2-(fluoromethoxy)benzene (CID 121285035) is 1-ethyl-4-fluoro-2-(fluoromethoxy)benzene.
What is the SMILES notation for 1-ethyl-4-fluoro-2-(fluoromethoxy)benzene?
The canonical SMILES for 1-ethyl-4-fluoro-2-(fluoromethoxy)benzene is CCc1ccc(F)cc1OCF.
What is the InChIKey of 1-ethyl-4-fluoro-2-(fluoromethoxy)benzene?
The InChIKey is IDOKPMWVMFOOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O/c1-2-7-3-4-8(11)5-9(7)12-6-10/h3-5H,2,6H2,1H3.
What are the key properties of 1-ethyl-4-fluoro-2-(fluoromethoxy)benzene?
1-ethyl-4-fluoro-2-(fluoromethoxy)benzene has a molecular weight of 172.17 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-2-(fluoromethoxy)benzene is sourced from PubChem (CID 121285035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).