1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene

C22H19F5 — CID 143471798

IUPAC1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene
SMILESC=C/C=C(\C=C/C)C[C@H](c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H19F5/c1-3-5-15(6-4-2)11-21(16-7-9-19(23)10-8-16)17-12-18(22(25,26)27)14-20(24)13-17/h3-10,12-14,21H,1,11H2,2H3/b6-4-,15-5+/t21-/m1/s1
InChIKeyFHSSMODGIZHQEO-PURNIBPOSA-N
MW378.38 g/mol
LogP7.19
Rot. Bonds6

About 1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene

1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene (PubChem CID 143471798) has the molecular formula C22H19F5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene
PubChem CID143471798
Molecular FormulaC22H19F5
Molecular Weight378.38 g/mol
Exact Mass378.14
IUPAC Name1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene
SMILESC=C/C=C(\C=C/C)C[C@H](c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C22H19F5/c1-3-5-15(6-4-2)11-21(16-7-9-19(23)10-8-16)17-12-18(22(25,26)27)14-20(24)13-17/h3-10,12-14,21H,1,11H2,2H3/b6-4-,15-5+/t21-/m1/s1
InChIKeyFHSSMODGIZHQEO-PURNIBPOSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.38
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene (CID 143471798) is 1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene is C=C/C=C(\C=C/C)C[C@H](c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene?
The InChIKey is FHSSMODGIZHQEO-PURNIBPOSA-N. The full InChI is InChI=1S/C22H19F5/c1-3-5-15(6-4-2)11-21(16-7-9-19(23)10-8-16)17-12-18(22(25,26)27)14-20(24)13-17/h3-10,12-14,21H,1,11H2,2H3/b6-4-,15-5+/t21-/m1/s1.
What are the key properties of 1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene?
1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene has a molecular weight of 378.38 g/mol, XLogP of 7.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(1R,3Z)-1-(4-fluorophenyl)-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]-5-(trifluoromethyl)benzene is sourced from PubChem (CID 143471798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).