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

C21H15F5O — CID 70388417

IUPAC1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2F)cc1
InChIInChI=1S/C21H15F5O/c1-2-13-3-5-14(6-4-13)17-11-12-18(20(23)19(17)22)15-7-9-16(10-8-15)27-21(24,25)26/h3-12H,2H2,1H3
InChIKeyPETFEPZZFPCBSS-UHFFFAOYSA-N
MW378.34 g/mol
LogP6.76
Rot. Bonds4

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

1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 70388417) has the molecular formula C21H15F5O and a molecular weight of 378.34 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID70388417
Molecular FormulaC21H15F5O
Molecular Weight378.34 g/mol
Exact Mass378.10
IUPAC Name1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2F)cc1
InChIInChI=1S/C21H15F5O/c1-2-13-3-5-14(6-4-13)17-11-12-18(20(23)19(17)22)15-7-9-16(10-8-15)27-21(24,25)26/h3-12H,2H2,1H3
InChIKeyPETFEPZZFPCBSS-UHFFFAOYSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.34
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
2,3-difluoro-1-(4-hexylphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388526
1-ethoxy-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436006
1-ethoxy-2,3-difluoro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 19436318
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
1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene
CID 162480776
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 22045360
7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884381
4-(4-ethylphenyl)-2,3-difluorophenol
CID 19911018
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene (CID 70388417) is 1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene is CCc1ccc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)c(F)c2F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is PETFEPZZFPCBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5O/c1-2-13-3-5-14(6-4-13)17-11-12-18(20(23)19(17)22)15-7-9-16(10-8-15)27-21(24,25)26/h3-12H,2H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene?
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 378.34 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 70388417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).