1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene

C14H11F3O — CID 22008080

IUPAC1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene
SMILESCCOc1ccc(-c2cccc(F)c2)c(F)c1F
InChIInChI=1S/C14H11F3O/c1-2-18-12-7-6-11(13(16)14(12)17)9-4-3-5-10(15)8-9/h3-8H,2H2,1H3
InChIKeyVRLJBMPOTCIPML-UHFFFAOYSA-N
MW252.23 g/mol
LogP4.17
Rot. Bonds3

About 1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene

1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene (PubChem CID 22008080) has the molecular formula C14H11F3O and a molecular weight of 252.23 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene
PubChem CID22008080
Molecular FormulaC14H11F3O
Molecular Weight252.23 g/mol
Exact Mass252.08
IUPAC Name1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene
SMILESCCOc1ccc(-c2cccc(F)c2)c(F)c1F
InChIInChI=1S/C14H11F3O/c1-2-18-12-7-6-11(13(16)14(12)17)9-4-3-5-10(15)8-9/h3-8H,2H2,1H3
InChIKeyVRLJBMPOTCIPML-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
CID 118149747
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111
[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]methanol
CID 118188401
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene
CID 172603717
2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
N-butan-2-yl-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide
CID 171106905
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235
1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436006
7-ethoxy-1,2,8-trifluoro-3-naphthalen-2-ylbiphenylene
CID 134473369
5-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]-2-prop-2-enylpyrimidine
CID 20621804
1-ethoxy-2,3-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 19436318

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene (CID 22008080) is 1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene is CCOc1ccc(-c2cccc(F)c2)c(F)c1F.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene?
The InChIKey is VRLJBMPOTCIPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c1-2-18-12-7-6-11(13(16)14(12)17)9-4-3-5-10(15)8-9/h3-8H,2H2,1H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene?
1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene has a molecular weight of 252.23 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-(3-fluorophenyl)benzene is sourced from PubChem (CID 22008080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).