1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene

C15H11F5O2 — CID 19436006

IUPAC1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)c(F)c1F
InChIInChI=1S/C15H11F5O2/c1-2-21-12-8-7-11(13(16)14(12)17)9-3-5-10(6-4-9)22-15(18,19)20/h3-8H,2H2,1H3
InChIKeyHMMVUZUCOXTOGW-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.93
Rot. Bonds4

About 1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene

1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 19436006) has the molecular formula C15H11F5O2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID19436006
Molecular FormulaC15H11F5O2
Molecular Weight318.24 g/mol
Exact Mass318.07
IUPAC Name1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESCCOc1ccc(-c2ccc(OC(F)(F)F)cc2)c(F)c1F
InChIInChI=1S/C15H11F5O2/c1-2-21-12-8-7-11(13(16)14(12)17)9-3-5-10(6-4-9)22-15(18,19)20/h3-8H,2H2,1H3
InChIKeyHMMVUZUCOXTOGW-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-2,3-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 19436318
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
1-[(4-butylcyclohexyl)methoxy]-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19103772
2,3-difluoro-1-(4-hexoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388550
1-butyl-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436412
2,3-difluoro-1-(4-hexylphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388526
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]ethanol
CID 118022111
1-ethoxy-4-[2-[4-[4-(4-ethoxyphenyl)-2,3-difluorophenyl]phenyl]ethyl]-2,3-difluorobenzene
CID 89430735
1-(4-butoxyphenyl)-4-[4-[(4-ethoxy-2,3-difluorophenyl)methoxy]phenyl]-2,3-difluorobenzene
CID 89430437
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene
CID 172603717
[4-(4-ethoxyphenyl)-2,3-difluorophenyl] 1,1,1-trifluoropentan-2-yl carbonate
CID 88597332
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene (CID 19436006) is 1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene is CCOc1ccc(-c2ccc(OC(F)(F)F)cc2)c(F)c1F.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is HMMVUZUCOXTOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F5O2/c1-2-21-12-8-7-11(13(16)14(12)17)9-3-5-10(6-4-9)22-15(18,19)20/h3-8H,2H2,1H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene?
1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 318.24 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 19436006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).