1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene

C14H13F3 — CID 145089374

IUPAC1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
SMILESC=C(C)C(=C)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3/c1-10(2)11(3)4-5-12-6-8-13(9-7-12)14(15,16)17/h4-9H,1,3H2,2H3/b5-4+
InChIKeyDEXKGEPXJOXPMM-SNAWJCMRSA-N
MW238.25 g/mol
LogP4.85
Rot. Bonds3

About 1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene

1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene (PubChem CID 145089374) has the molecular formula C14H13F3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
PubChem CID145089374
Molecular FormulaC14H13F3
Molecular Weight238.25 g/mol
Exact Mass238.10
IUPAC Name1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene
SMILESC=C(C)C(=C)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H13F3/c1-10(2)11(3)4-5-12-6-8-13(9-7-12)14(15,16)17/h4-9H,1,3H2,2H3/b5-4+
InChIKeyDEXKGEPXJOXPMM-SNAWJCMRSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 154420717
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
3-methyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 173277317
(E)-2-oxo-4-[4-(trifluoromethyl)phenyl]but-3-enamide
CID 117061556
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197
1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
CID 11148298
(E)-1-methoxy-4-[4-(trifluoromethyl)phenyl]but-3-en-2-one
CID 102459636
(E)-N-(4-tert-butylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 7914020
ethyl (E)-2-oxo-4-[4-(trifluoromethyl)phenyl]but-3-enoate
CID 46217691
1-(trifluoromethyl)-4-[(Z)-2-[4-[1-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]-1-[4-[(Z)-2-[4-(trifluoromethyl)phenyl]-2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 177464868
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198

Frequently Asked Questions

What is the IUPAC name of 1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene (CID 145089374) is 1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene is C=C(C)C(=C)/C=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene?
The InChIKey is DEXKGEPXJOXPMM-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H13F3/c1-10(2)11(3)4-5-12-6-8-13(9-7-12)14(15,16)17/h4-9H,1,3H2,2H3/b5-4+.
What are the key properties of 1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene?
1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene has a molecular weight of 238.25 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1E)-4-methyl-3-methylidenepenta-1,4-dienyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 145089374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).