[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene

C16H16F2S — CID 66729803

IUPAC[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene
SMILESCC(F)(SC(C)(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16F2S/c1-15(17,13-9-5-3-6-10-13)19-16(2,18)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyNBHXJQXCFJBPIA-UHFFFAOYSA-N
MW278.37 g/mol
LogP5.40
Rot. Bonds4

About [1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene

[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene (PubChem CID 66729803) has the molecular formula C16H16F2S and a molecular weight of 278.37 g/mol. Its IUPAC name is [1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene.

Molecular Properties

Compound Name[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene
PubChem CID66729803
Molecular FormulaC16H16F2S
Molecular Weight278.37 g/mol
Exact Mass278.09
IUPAC Name[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene
SMILESCC(F)(SC(C)(F)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16F2S/c1-15(17,13-9-5-3-6-10-13)19-16(2,18)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKeyNBHXJQXCFJBPIA-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.37
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;bis(trifluoromethylbenzene)
CID 142912000
1,1-difluoroethylbenzene
CID 10942535
phosphane;trifluoromethylbenzene
CID 175486194
trifluoromethylbenzene;dihydrochloride
CID 171928889
(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene
CID 167184164
2-phenyl-2-(trifluoromethylsulfanyl)propanal
CID 132605691
CID 171375456
CID 171375456
2-phenylpropan-2-ylbenzene
CID 13065
azidomethane;trifluoromethylbenzene
CID 175515573
(1-fluoro-1-methoxyethyl)benzene
CID 89466800
ethane;toluene;trifluoromethylbenzene
CID 161105309
[(2S)-1,1,1-trideuterio-2-fluoropropan-2-yl]benzene
CID 121449652

Frequently Asked Questions

What is the IUPAC name of [1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene?
The IUPAC name of [1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene (CID 66729803) is [1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene.
What is the SMILES notation for [1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene?
The canonical SMILES for [1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene is CC(F)(SC(C)(F)c1ccccc1)c1ccccc1.
What is the InChIKey of [1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene?
The InChIKey is NBHXJQXCFJBPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2S/c1-15(17,13-9-5-3-6-10-13)19-16(2,18)14-11-7-4-8-12-14/h3-12H,1-2H3.
What are the key properties of [1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene?
[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene has a molecular weight of 278.37 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene is sourced from PubChem (CID 66729803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).