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

C15H13F3O — CID 139813311

IUPAC1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene
SMILESCC(OC(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H13F3O/c1-11(19-15(16,17)18)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyDLFMSFPMHROUQN-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.95
Rot. Bonds3

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

1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene (PubChem CID 139813311) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene.

Molecular Properties

Compound Name1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene
PubChem CID139813311
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene
SMILESCC(OC(F)(F)F)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H13F3O/c1-11(19-15(16,17)18)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3
InChIKeyDLFMSFPMHROUQN-UHFFFAOYSA-N
XLogP4.95
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 ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Bis(Methoxymethyl)Benzene
CID 81239
Bis(1-phenylethyl) ether
CID 62342
Benzene, (1-ethoxyethyl)-
CID 18693
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-4-methylene-2-phenyl-
CID 108444
1-(2-Methoxypropan-2-yl)-4-methylbenzene
CID 14121774
cis-Stilbene oxide
CID 98511
2-(4-Methylphenyl)oxirane
CID 108111
4-(2-Methylpropyl)benzyl propyl ether
CID 122553315
Benzene, 1,1'-(methoxymethylene)bis-
CID 219159
4-(Trifluoromethyl)benzhydrol
CID 258897
trans-Stilbene oxide
CID 91504

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene?
The IUPAC name of 1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene (CID 139813311) is 1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene.
What is the SMILES notation for 1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene?
The canonical SMILES for 1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene is CC(OC(F)(F)F)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene?
The InChIKey is DLFMSFPMHROUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-11(19-15(16,17)18)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3.
What are the key properties of 1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene?
1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene has a molecular weight of 266.26 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[1-(trifluoromethoxy)ethyl]benzene is sourced from PubChem (CID 139813311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).