1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene

C20H29F3O — CID 122222389

IUPAC1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene
SMILESCCCCCCCCCC/C=C(/c1ccc(OC)cc1)C(F)(F)F
InChIInChI=1S/C20H29F3O/c1-3-4-5-6-7-8-9-10-11-12-19(20(21,22)23)17-13-15-18(24-2)16-14-17/h12-16H,3-11H2,1-2H3/b19-12-
InChIKeyBXZBFHOWVRWJBV-UNOMPAQXSA-N
MW342.44 g/mol
LogP7.17
Rot. Bonds11

About 1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene

1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene (PubChem CID 122222389) has the molecular formula C20H29F3O and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene
PubChem CID122222389
Molecular FormulaC20H29F3O
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Name1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene
SMILESCCCCCCCCCC/C=C(/c1ccc(OC)cc1)C(F)(F)F
InChIInChI=1S/C20H29F3O/c1-3-4-5-6-7-8-9-10-11-12-19(20(21,22)23)17-13-15-18(24-2)16-14-17/h12-16H,3-11H2,1-2H3/b19-12-
InChIKeyBXZBFHOWVRWJBV-UNOMPAQXSA-N
XLogP7.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
CID 102307360
1-[(Z)-1-diethoxyphosphorylhept-1-enyl]-4-methoxybenzene
CID 15525921
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene
CID 46894337
1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene
CID 123613644
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)tetradecylideneamino]tetradecan-1-imine
CID 4658551
(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one
CID 102140123
1-methoxy-4-oct-4-en-4-ylbenzene
CID 72965234
1-[1-(benzenesulfinyl)-3,3,3-trifluoroprop-1-en-2-yl]-4-methoxybenzene
CID 118270621
(Z)-4,4,4-trifluoro-1-(4-methoxyphenyl)-3-phenylbut-2-en-1-one
CID 102451178

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene?
The IUPAC name of 1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene (CID 122222389) is 1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene?
The canonical SMILES for 1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene is CCCCCCCCCC/C=C(/c1ccc(OC)cc1)C(F)(F)F.
What is the InChIKey of 1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene?
The InChIKey is BXZBFHOWVRWJBV-UNOMPAQXSA-N. The full InChI is InChI=1S/C20H29F3O/c1-3-4-5-6-7-8-9-10-11-12-19(20(21,22)23)17-13-15-18(24-2)16-14-17/h12-16H,3-11H2,1-2H3/b19-12-.
What are the key properties of 1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene?
1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene has a molecular weight of 342.44 g/mol, XLogP of 7.17, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene is sourced from PubChem (CID 122222389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).