1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene

C18H15F3 — CID 162539205

IUPAC1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene
SMILESCC=C=C(Cc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3/c1-2-6-16(13-14-7-4-3-5-8-14)15-9-11-17(12-10-15)18(19,20)21/h2-5,7-12H,13H2,1H3
InChIKeyMYJLBCOGMPWNGJ-UHFFFAOYSA-N
MW288.31 g/mol
LogP5.51
Rot. Bonds3

About 1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene

1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene (PubChem CID 162539205) has the molecular formula C18H15F3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene
PubChem CID162539205
Molecular FormulaC18H15F3
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene
SMILESCC=C=C(Cc1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H15F3/c1-2-6-16(13-14-7-4-3-5-8-14)15-9-11-17(12-10-15)18(19,20)21/h2-5,7-12H,13H2,1H3
InChIKeyMYJLBCOGMPWNGJ-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.31
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 101352816
CID 101352816
trimethyl(2-phenylpenta-2,3-dienyl)silane
CID 102425929
methyl (E)-5-phenyl-2-[4-(trifluoromethyl)phenyl]pent-2-enoate
CID 177485671
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546139
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 68849939
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
N'-amino-N-methyl-2-phenyl-N-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 123733805
1-(1-phenylethenyl)-4-(trifluoromethyl)benzene
CID 10634268
(E)-1-[4-(trifluoromethyl)phenyl]pent-3-en-2-one
CID 103453232
1,2-bis[2-[2-[(Z)-2-phenyl-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethenyl]benzene
CID 160707520
[2-[acetyl(benzyl)amino]-2-[4-(trifluoromethyl)phenyl]ethenyl] thiocyanate
CID 175347019

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene (CID 162539205) is 1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene is CC=C=C(Cc1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene?
The InChIKey is MYJLBCOGMPWNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3/c1-2-6-16(13-14-7-4-3-5-8-14)15-9-11-17(12-10-15)18(19,20)21/h2-5,7-12H,13H2,1H3.
What are the key properties of 1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene?
1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene has a molecular weight of 288.31 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpenta-2,3-dien-2-yl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 162539205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).