1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene

C18H16F4O — CID 158698119

IUPAC1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene
SMILESCCC/C=C(/c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16F4O/c1-2-3-4-17(13-5-9-15(19)10-6-13)14-7-11-16(12-8-14)23-18(20,21)22/h4-12H,2-3H2,1H3/b17-4-
InChIKeyQPXRGLOHCFPBDY-INGKJJEOSA-N
MW324.32 g/mol
LogP5.96
Rot. Bonds5

About 1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene

1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene (PubChem CID 158698119) has the molecular formula C18H16F4O and a molecular weight of 324.32 g/mol. Its IUPAC name is 1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene
PubChem CID158698119
Molecular FormulaC18H16F4O
Molecular Weight324.32 g/mol
Exact Mass324.11
IUPAC Name1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene
SMILESCCC/C=C(/c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16F4O/c1-2-3-4-17(13-5-9-15(19)10-6-13)14-7-11-16(12-8-14)23-18(20,21)22/h4-12H,2-3H2,1H3/b17-4-
InChIKeyQPXRGLOHCFPBDY-INGKJJEOSA-N
XLogP5.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.32
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762
3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine
CID 76997280
2-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-1-one
CID 91327387
butyl 4-(trifluoromethoxy)benzoate
CID 113220950
ethyl (2R)-2-bromo-3-oxo-3-[4-(trifluoromethoxy)phenyl]propanoate
CID 26985150
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CID 110168444
4-(1-phenylpent-1-enyl)phenol
CID 57219514
1-[4-(trifluoromethoxy)phenyl]nonan-1-one
CID 114966864
1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene
CID 54383292
4,4-bis(4-fluorophenyl)but-3-enyl-propan-2-ylazanium chloride
CID 110168456
N-amino-N'-propyl-4-(trifluoromethoxy)benzenecarboximidamide
CID 116629235
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene?
The IUPAC name of 1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene (CID 158698119) is 1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene?
The canonical SMILES for 1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene is CCC/C=C(/c1ccc(F)cc1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene?
The InChIKey is QPXRGLOHCFPBDY-INGKJJEOSA-N. The full InChI is InChI=1S/C18H16F4O/c1-2-3-4-17(13-5-9-15(19)10-6-13)14-7-11-16(12-8-14)23-18(20,21)22/h4-12H,2-3H2,1H3/b17-4-.
What are the key properties of 1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene?
1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene has a molecular weight of 324.32 g/mol, XLogP of 5.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene is sourced from PubChem (CID 158698119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).