1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene

C16H13F3O — CID 163602291

IUPAC1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
SMILESC=Cc1ccc(COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O/c1-2-12-3-5-13(6-4-12)11-20-15-9-7-14(8-10-15)16(17,18)19/h2-10H,1,11H2
InChIKeyGYRRHYSHPPOWSD-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.93
Rot. Bonds4

About 1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene

1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene (PubChem CID 163602291) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
PubChem CID163602291
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
SMILESC=Cc1ccc(COc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3O/c1-2-12-3-5-13(6-4-12)11-20-15-9-7-14(8-10-15)16(17,18)19/h2-10H,1,11H2
InChIKeyGYRRHYSHPPOWSD-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[(4-ethenylphenyl)methoxy]phenyl]-difluoromethanesulfonic acid
CID 89361568
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
CID 4686859
[4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite
CID 132547089
1-tert-butyl-4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]benzene
CID 69208043
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
1,3-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]-5-[[4-[tris[4-[[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methoxy]phenyl]methyl]phenoxy]methyl]benzene
CID 101332867
1-[(E)-hept-1-enyl]-4-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 22991560
1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine
CID 145260573
1-phenylmethoxy-4-(trifluoromethyl)benzene;4-(trifluoromethyl)phenol
CID 159669707

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene?
The IUPAC name of 1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene (CID 163602291) is 1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene.
What is the SMILES notation for 1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene?
The canonical SMILES for 1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene is C=Cc1ccc(COc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene?
The InChIKey is GYRRHYSHPPOWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c1-2-12-3-5-13(6-4-12)11-20-15-9-7-14(8-10-15)16(17,18)19/h2-10H,1,11H2.
What are the key properties of 1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene?
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene has a molecular weight of 278.27 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene is sourced from PubChem (CID 163602291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).