1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene

C15H15F3O — CID 129241382

IUPAC1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene
SMILESCC/C=C\COCC#Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3O/c1-2-3-4-11-19-12-5-6-13-7-9-14(10-8-13)15(16,17)18/h3-4,7-10H,2,11-12H2,1H3/b4-3-
InChIKeyKIVONUDETASTNR-ARJAWSKDSA-N
MW268.28 g/mol
LogP4.04
Rot. Bonds4

About 1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene

1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene (PubChem CID 129241382) has the molecular formula C15H15F3O and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene
PubChem CID129241382
Molecular FormulaC15H15F3O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene
SMILESCC/C=C\COCC#Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3O/c1-2-3-4-11-19-12-5-6-13-7-9-14(10-8-13)15(16,17)18/h3-4,7-10H,2,11-12H2,1H3/b4-3-
InChIKeyKIVONUDETASTNR-ARJAWSKDSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(2E,4E)-hexa-2,4-dienoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene
CID 11977314
1-(3-methoxyprop-1-ynyl)-4-(trifluoromethyl)benzene
CID 21305207
1-pent-1-ynyl-4-(trifluoromethyl)benzene
CID 68880068
1-hex-1-ynyl-4-(trifluoromethyl)benzene
CID 11736275
1-(trifluoromethyl)-4-[2-[4-[2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]benzene
CID 86099970
1-pent-4-en-1-ynyl-4-(trifluoromethyl)benzene
CID 166522966
3-(2,2,2-trifluoroethoxy)prop-1-ynylbenzene
CID 100928911
1-(trifluoromethyl)-4-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenyl]benzene
CID 143875518
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
2-amino-N-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 114777631
2-(bromomethyl)-4-fluoro-1-[3-[4-(trifluoromethyl)phenyl]prop-2-ynoxy]benzene
CID 67351737
11-[4-(trifluoromethyl)phenyl]undec-10-yn-5-ol
CID 170548876

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene (CID 129241382) is 1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene is CC/C=C\COCC#Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene?
The InChIKey is KIVONUDETASTNR-ARJAWSKDSA-N. The full InChI is InChI=1S/C15H15F3O/c1-2-3-4-11-19-12-5-6-13-7-9-14(10-8-13)15(16,17)18/h3-4,7-10H,2,11-12H2,1H3/b4-3-.
What are the key properties of 1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene?
1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene has a molecular weight of 268.28 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(Z)-pent-2-enoxy]prop-1-ynyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 129241382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).