(1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene

C15H10F2S — CID 11482363

IUPAC(1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene
SMILESFC(F)(C#Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H10F2S/c16-15(17,18-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H
InChIKeyJKMIOOFNDSQDAZ-UHFFFAOYSA-N
MW260.31 g/mol
LogP4.42
Rot. Bonds2

About (1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene

(1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene (PubChem CID 11482363) has the molecular formula C15H10F2S and a molecular weight of 260.31 g/mol. Its IUPAC name is (1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene.

Molecular Properties

Compound Name(1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene
PubChem CID11482363
Molecular FormulaC15H10F2S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name(1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene
SMILESFC(F)(C#Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C15H10F2S/c16-15(17,18-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H
InChIKeyJKMIOOFNDSQDAZ-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Benzyl phenyl sulfide
CID 13255
Phenethyl phenyl sulfide
CID 139634
Phenyl 3-phenylpropyl sulphide
CID 141544
Benzene, 1-methyl-4-(phenylthio)-
CID 138011
Benzene, 1-methyl-2-(phenylthio)-
CID 139652
Phenyl styryl sulfide
CID 611297
4-(Trifluoromethylthio)toluene
CID 2777908
Dibenzo[b,f]thiepin
CID 136074
1-Methyl-4-[[4-(trifluoromethyl)phenyl]methylsulfanyl]benzene
CID 2743786
Benzene, 1-methyl-3-(phenylthio)-
CID 139633
((Phenylethynyl)sulfonyl)benzene
CID 220246
4-Fluorobenzyl phenyl sulfide
CID 2737284

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene?
The IUPAC name of (1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene (CID 11482363) is (1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene.
What is the SMILES notation for (1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene?
The canonical SMILES for (1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene is FC(F)(C#Cc1ccccc1)Sc1ccccc1.
What is the InChIKey of (1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene?
The InChIKey is JKMIOOFNDSQDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2S/c16-15(17,18-14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-10H.
What are the key properties of (1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene?
(1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene has a molecular weight of 260.31 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-3-phenylprop-2-ynyl)sulfanylbenzene is sourced from PubChem (CID 11482363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).