1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene

C17H15F3O — CID 11130099

IUPAC1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene
SMILESC=CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H15F3O/c1-2-6-16(13-7-4-3-5-8-13)21-15-11-9-14(10-12-15)17(18,19)20/h2-5,7-12,16H,1,6H2
InChIKeyQXGWWOASGNAJEK-UHFFFAOYSA-N
MW292.30 g/mol
LogP5.40
Rot. Bonds5

About 1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene

1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene (PubChem CID 11130099) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene
PubChem CID11130099
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene
SMILESC=CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C17H15F3O/c1-2-6-16(13-7-4-3-5-8-13)21-15-11-9-14(10-12-15)17(18,19)20/h2-5,7-12,16H,1,6H2
InChIKeyQXGWWOASGNAJEK-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.30
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-1-phenylpropoxy)-4-(trifluoromethyl)benzene
CID 12851437
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
N-chloro-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 54285023
methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]azanium
CID 15940193
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine chloride
CID 44669843
N-deuterio-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 138402735
(Z)-but-2-enedioic acid;N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 11281720
1-chloro-3-[(1S)-1-phenylbut-3-enoxy]benzene
CID 122689566
1-[2-phenyl-2-[4-(trifluoromethyl)phenoxy]ethyl]piperazine
CID 143117253
1-[1-phenyl-3-(4-propylcyclohexyl)propoxy]-4-(trifluoromethyl)benzene
CID 67613693
1-(3-phenylhexa-1,5-dienyl)-4-(trifluoromethyl)benzene
CID 71390384
bis[(5R)-1-amino-5-phenyl-5-[4-(trifluoromethyl)phenoxy]pentyl] (E)-but-2-enedioate
CID 118519712

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene (CID 11130099) is 1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene is C=CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene?
The InChIKey is QXGWWOASGNAJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-2-6-16(13-7-4-3-5-8-13)21-15-11-9-14(10-12-15)17(18,19)20/h2-5,7-12,16H,1,6H2.
What are the key properties of 1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene?
1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene has a molecular weight of 292.30 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 11130099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).