1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene

C16H13F3Se — CID 71608776

IUPAC1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(/C=C/C[Se]c2ccccc2)c1
InChIInChI=1S/C16H13F3Se/c17-16(18,19)14-8-4-6-13(12-14)7-5-11-20-15-9-2-1-3-10-15/h1-10,12H,11H2/b7-5+
InChIKeyDSTPUQWHNFQVNT-FNORWQNLSA-N
MW341.23 g/mol
LogP4.17
Rot. Bonds4

About 1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene

1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene (PubChem CID 71608776) has the molecular formula C16H13F3Se and a molecular weight of 341.23 g/mol. Its IUPAC name is 1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene
PubChem CID71608776
Molecular FormulaC16H13F3Se
Molecular Weight341.23 g/mol
Exact Mass342.01
IUPAC Name1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(/C=C/C[Se]c2ccccc2)c1
InChIInChI=1S/C16H13F3Se/c17-16(18,19)14-8-4-6-13(12-14)7-5-11-20-15-9-2-1-3-10-15/h1-10,12H,11H2/b7-5+
InChIKeyDSTPUQWHNFQVNT-FNORWQNLSA-N
XLogP4.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloroprop-1-enyl)-3-(trifluoromethyl)benzene
CID 53441843
1-(4-bromobut-1-enyl)-3-(trifluoromethyl)benzene
CID 79016492
5-[3-(trifluoromethyl)phenyl]pent-4-enoic acid
CID 171372447
N-tert-butyl-4-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 79599160
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
3-[3-(trifluoromethyl)phenyl]prop-2-enyl methanesulfonate
CID 91411558
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
1-[(Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 117269353
4-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]aniline
CID 141309127
2-[3-[3-(trifluoromethyl)phenyl]prop-2-enoxyamino]prop-2-enoic acid
CID 56636125
(Z)-4-[3-(trifluoromethyl)phenyl]but-3-en-2-one
CID 23274083
3-[2-[3-[3-(trifluoromethyl)phenyl]prop-2-enylamino]phenyl]propanoic acid
CID 154255503

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene (CID 71608776) is 1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(/C=C/C[Se]c2ccccc2)c1.
What is the InChIKey of 1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene?
The InChIKey is DSTPUQWHNFQVNT-FNORWQNLSA-N. The full InChI is InChI=1S/C16H13F3Se/c17-16(18,19)14-8-4-6-13(12-14)7-5-11-20-15-9-2-1-3-10-15/h1-10,12H,11H2/b7-5+.
What are the key properties of 1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene?
1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene has a molecular weight of 341.23 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylselanylprop-1-enyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 71608776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).