1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene

C14H15F3 — CID 143254016

IUPAC1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene
SMILESC/C=C(\C=C(\C)CC)c1c(F)ccc(F)c1F
InChIInChI=1S/C14H15F3/c1-4-9(3)8-10(5-2)13-11(15)6-7-12(16)14(13)17/h5-8H,4H2,1-3H3/b9-8-,10-5+
InChIKeyPWDZWESMUOSRRX-JMJQRBITSA-N
MW240.27 g/mol
LogP4.86
Rot. Bonds3

About 1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene

1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene (PubChem CID 143254016) has the molecular formula C14H15F3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene.

Molecular Properties

Compound Name1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene
PubChem CID143254016
Molecular FormulaC14H15F3
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene
SMILESC/C=C(\C=C(\C)CC)c1c(F)ccc(F)c1F
InChIInChI=1S/C14H15F3/c1-4-9(3)8-10(5-2)13-11(15)6-7-12(16)14(13)17/h5-8H,4H2,1-3H3/b9-8-,10-5+
InChIKeyPWDZWESMUOSRRX-JMJQRBITSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(dimethylamino)-1-(2,3,6-trifluorophenyl)prop-2-en-1-one
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CID 106941899
CID 88999246
CID 88999246
(Z)-2-ethyl-1-(2,3,4-trifluorophenyl)but-2-en-1-one
CID 103447577
(3E,5E)-5-(difluoromethoxy)-3-methylocta-3,5-diene
CID 143342131
1-[(Z)-3-bromo-2-methylprop-1-enyl]-2,3,4-trifluorobenzene
CID 164649403
ethyl 2,3-difluoro-6-(trifluoromethyl)benzoate
CID 18792115
(Z)-4-(3-bromo-2,6-difluorophenyl)-N-propylpent-3-en-1-amine
CID 106943837
ethyl 3-amino-2,6-difluorobenzoate
CID 23137423
1-chloro-3-fluoro-2-[(E)-4-methylhex-3-enyl]benzene
CID 167672107
ethane;(E)-3-methylpent-2-ene
CID 144523626
3-methylpent-2-ene;zirconium
CID 174393280

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene?
The IUPAC name of 1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene (CID 143254016) is 1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene.
What is the SMILES notation for 1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene?
The canonical SMILES for 1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene is C/C=C(\C=C(\C)CC)c1c(F)ccc(F)c1F.
What is the InChIKey of 1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene?
The InChIKey is PWDZWESMUOSRRX-JMJQRBITSA-N. The full InChI is InChI=1S/C14H15F3/c1-4-9(3)8-10(5-2)13-11(15)6-7-12(16)14(13)17/h5-8H,4H2,1-3H3/b9-8-,10-5+.
What are the key properties of 1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene?
1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene has a molecular weight of 240.27 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trifluoro-3-[(2E,4Z)-5-methylhepta-2,4-dien-3-yl]benzene is sourced from PubChem (CID 143254016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).