2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene

C18H17F3 — CID 71604513

IUPAC2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene
SMILESCc1ccc(/C(=C/C(F)(F)F)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H17F3/c1-12-4-7-15(8-5-12)17(11-18(19,20)21)16-9-6-13(2)10-14(16)3/h4-11H,1-3H3/b17-11-
InChIKeyXYHVNZDZAIOHOH-BOPFTXTBSA-N
MW290.33 g/mol
LogP5.61
Rot. Bonds2

About 2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene

2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene (PubChem CID 71604513) has the molecular formula C18H17F3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene
PubChem CID71604513
Molecular FormulaC18H17F3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene
SMILESCc1ccc(/C(=C/C(F)(F)F)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H17F3/c1-12-4-7-15(8-5-12)17(11-18(19,20)21)16-9-6-13(2)10-14(16)3/h4-11H,1-3H3/b17-11-
InChIKeyXYHVNZDZAIOHOH-BOPFTXTBSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.33
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene?
The IUPAC name of 2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene (CID 71604513) is 2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene is Cc1ccc(/C(=C/C(F)(F)F)c2ccc(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene?
The InChIKey is XYHVNZDZAIOHOH-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H17F3/c1-12-4-7-15(8-5-12)17(11-18(19,20)21)16-9-6-13(2)10-14(16)3/h4-11H,1-3H3/b17-11-.
What are the key properties of 2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene?
2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene has a molecular weight of 290.33 g/mol, XLogP of 5.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(Z)-3,3,3-trifluoro-1-(4-methylphenyl)prop-1-enyl]benzene is sourced from PubChem (CID 71604513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).