1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene

C17H15F3 — CID 11747812

IUPAC1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene
SMILESC/C(=C(\c1ccccc1)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C17H15F3/c1-12-8-10-14(11-9-12)13(2)16(17(18,19)20)15-6-4-3-5-7-15/h3-11H,1-2H3/b16-13-
InChIKeyNITIIJKPFHLCBI-SSZFMOIBSA-N
MW276.30 g/mol
LogP5.49
Rot. Bonds2

About 1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene

1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene (PubChem CID 11747812) has the molecular formula C17H15F3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene
PubChem CID11747812
Molecular FormulaC17H15F3
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene
SMILESC/C(=C(\c1ccccc1)C(F)(F)F)c1ccc(C)cc1
InChIInChI=1S/C17H15F3/c1-12-8-10-14(11-9-12)13(2)16(17(18,19)20)15-6-4-3-5-7-15/h3-11H,1-2H3/b16-13-
InChIKeyNITIIJKPFHLCBI-SSZFMOIBSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.30
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene
CID 166438756
benzoic acid;4-methylbenzoic acid
CID 71272637
ethane;1-methyl-4-[3-(4-methylphenyl)but-2-en-2-yl]benzene
CID 91583110
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
1-(4-methylphenyl)-3,3-diphenyl-2-(trifluoromethyl)prop-2-en-1-one
CID 71363336
1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene
CID 123988265
1-(2,2-difluoro-1-phenylethenyl)-4-methylbenzene
CID 101461718
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
1-[(Z)-4-bromo-3,3,4,4-tetrafluoro-1-phenylbut-1-enyl]-4-methylbenzene
CID 132943042

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene?
The IUPAC name of 1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene (CID 11747812) is 1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene is C/C(=C(\c1ccccc1)C(F)(F)F)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene?
The InChIKey is NITIIJKPFHLCBI-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H15F3/c1-12-8-10-14(11-9-12)13(2)16(17(18,19)20)15-6-4-3-5-7-15/h3-11H,1-2H3/b16-13-.
What are the key properties of 1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene?
1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene has a molecular weight of 276.30 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-4,4,4-trifluoro-3-phenylbut-2-en-2-yl]benzene is sourced from PubChem (CID 11747812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).