2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane

C19H19FS2 — CID 134854115

IUPAC2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane
SMILESFC=C(CC1SCCCS1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19FS2/c20-14-18(13-19-21-11-4-12-22-19)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,14,19H,4,11-13H2
InChIKeyHOFUINRSZFRCHZ-UHFFFAOYSA-N
MW330.49 g/mol
LogP6.25
Rot. Bonds4

About 2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane

2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane (PubChem CID 134854115) has the molecular formula C19H19FS2 and a molecular weight of 330.49 g/mol. Its IUPAC name is 2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane.

Molecular Properties

Compound Name2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane
PubChem CID134854115
Molecular FormulaC19H19FS2
Molecular Weight330.49 g/mol
Exact Mass330.09
IUPAC Name2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane
SMILESFC=C(CC1SCCCS1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H19FS2/c20-14-18(13-19-21-11-4-12-22-19)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,14,19H,4,11-13H2
InChIKeyHOFUINRSZFRCHZ-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.49
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane?
The IUPAC name of 2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane (CID 134854115) is 2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane.
What is the SMILES notation for 2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane?
The canonical SMILES for 2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane is FC=C(CC1SCCCS1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane?
The InChIKey is HOFUINRSZFRCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FS2/c20-14-18(13-19-21-11-4-12-22-19)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,14,19H,4,11-13H2.
What are the key properties of 2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane?
2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane has a molecular weight of 330.49 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-2-(4-phenylphenyl)prop-2-enyl]-1,3-dithiane is sourced from PubChem (CID 134854115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).