[4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite

C16H15FS — CID 146245909

IUPAC[4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite
SMILESC=C(C)c1ccccc1Cc1ccc(SF)cc1
InChIInChI=1S/C16H15FS/c1-12(2)16-6-4-3-5-14(16)11-13-7-9-15(18-17)10-8-13/h3-10H,1,11H2,2H3
InChIKeyLMBIOIBLTWMEEY-UHFFFAOYSA-N
MW258.36 g/mol
LogP5.29
Rot. Bonds4

About [4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite

[4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite (PubChem CID 146245909) has the molecular formula C16H15FS and a molecular weight of 258.36 g/mol. Its IUPAC name is [4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite.

Molecular Properties

Compound Name[4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite
PubChem CID146245909
Molecular FormulaC16H15FS
Molecular Weight258.36 g/mol
Exact Mass258.09
IUPAC Name[4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite
SMILESC=C(C)c1ccccc1Cc1ccc(SF)cc1
InChIInChI=1S/C16H15FS/c1-12(2)16-6-4-3-5-14(16)11-13-7-9-15(18-17)10-8-13/h3-10H,1,11H2,2H3
InChIKeyLMBIOIBLTWMEEY-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-2-prop-1-en-2-ylbenzene
CID 12535340
1-(2-prop-1-en-2-ylphenyl)propan-2-one
CID 68638096
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane
CID 142073226
1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene
CID 177208667
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
1-(chloromethyl)-2-[(4-methylsulfanylphenyl)methyl]benzene
CID 154098209
4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline
CID 129135425
2-[(4-benzylphenyl)methyl]benzoic acid
CID 150682144
2-[2-[(2-prop-1-en-2-ylphenyl)methylsulfanyl]ethylsulfanyl]ethanethiol
CID 139670783
ethene;1-methyl-2-prop-1-en-2-ylbenzene
CID 142947701

Frequently Asked Questions

What is the IUPAC name of [4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite?
The IUPAC name of [4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite (CID 146245909) is [4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite.
What is the SMILES notation for [4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite?
The canonical SMILES for [4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite is C=C(C)c1ccccc1Cc1ccc(SF)cc1.
What is the InChIKey of [4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite?
The InChIKey is LMBIOIBLTWMEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FS/c1-12(2)16-6-4-3-5-14(16)11-13-7-9-15(18-17)10-8-13/h3-10H,1,11H2,2H3.
What are the key properties of [4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite?
[4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite has a molecular weight of 258.36 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-prop-1-en-2-ylphenyl)methyl]phenyl] thiohypofluorite is sourced from PubChem (CID 146245909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).