1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene

C15H13F3O — CID 19436313

IUPAC1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESCCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H13F3O/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)19-15(16,17)18/h3-10H,2H2,1H3
InChIKeyLTVBVJWJPQODHP-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.81
Rot. Bonds3

About 1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene

1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene (PubChem CID 19436313) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
PubChem CID19436313
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
SMILESCCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C15H13F3O/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)19-15(16,17)18/h3-10H,2H2,1H3
InChIKeyLTVBVJWJPQODHP-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117
1-ethyl-4-[fluoro(diiodo)methoxy]benzene
CID 163537570
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
1-ethyl-4-[1,2,3,4-tetrafluoro-3-(fluoromethyl)butan-2-yl]oxybenzene
CID 89339417
2-ethylsulfanyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 151802827
1-ethyl-4-[4-(4,4,4-trifluorobutoxy)phenyl]benzene
CID 18335308
ethane;1-ethyl-4-[(2-methylpropan-2-yl)oxy]benzene
CID 157281363
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
1-methoxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]benzene
CID 59726185
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene?
The IUPAC name of 1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene (CID 19436313) is 1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene is CCc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene?
The InChIKey is LTVBVJWJPQODHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)19-15(16,17)18/h3-10H,2H2,1H3.
What are the key properties of 1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene?
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene has a molecular weight of 266.26 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene is sourced from PubChem (CID 19436313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).