[1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene

C16H14Cl2F2S — CID 54515327

IUPAC[1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene
SMILESFCC(Cl)(SC(Cl)(CF)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14Cl2F2S/c17-15(11-19,13-7-3-1-4-8-13)21-16(18,12-20)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyYMAMAWARSWVUFH-UHFFFAOYSA-N
MW347.26 g/mol
LogP5.84
Rot. Bonds6

About [1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene

[1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene (PubChem CID 54515327) has the molecular formula C16H14Cl2F2S and a molecular weight of 347.26 g/mol. Its IUPAC name is [1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene.

Molecular Properties

Compound Name[1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene
PubChem CID54515327
Molecular FormulaC16H14Cl2F2S
Molecular Weight347.26 g/mol
Exact Mass346.02
IUPAC Name[1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene
SMILESFCC(Cl)(SC(Cl)(CF)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14Cl2F2S/c17-15(11-19,13-7-3-1-4-8-13)21-16(18,12-20)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyYMAMAWARSWVUFH-UHFFFAOYSA-N
XLogP5.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.26
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1,2-dichloro-1,2-difluoro-2-phenylethyl)benzene
CID 15026496
[chloro(diphenyl)methyl]benzene;dichloromethane
CID 162037283
[(2R)-1,1,1,2,3-pentafluoropropan-2-yl]benzene
CID 124636792
[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene
CID 66729803
dichloro(phenyl)methanol
CID 25493
trityloxymethanamine
CID 59526425
1-[dichloro(phenyl)methyl]-4-[[4-[dichloro(phenyl)methyl]phenyl]methyl]benzene
CID 86006931
(2R)-2-chloro-2-fluoro-2-phenylacetonitrile
CID 26986003
(4-chloro-2,4-dimethylpentan-2-yl)benzene
CID 13095883
[1-bromo-1-(1-bromo-2,2-difluoro-1-phenylethyl)sulfanyl-2,2-difluoroethyl]benzene
CID 88751128
2-chloro-2-phenylpropan-1-ol
CID 21408065
2-chlorobutan-2-ylbenzene;ethane
CID 123404536

Frequently Asked Questions

What is the IUPAC name of [1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene?
The IUPAC name of [1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene (CID 54515327) is [1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene.
What is the SMILES notation for [1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene?
The canonical SMILES for [1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene is FCC(Cl)(SC(Cl)(CF)c1ccccc1)c1ccccc1.
What is the InChIKey of [1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene?
The InChIKey is YMAMAWARSWVUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2F2S/c17-15(11-19,13-7-3-1-4-8-13)21-16(18,12-20)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of [1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene?
[1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene has a molecular weight of 347.26 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-1-(1-chloro-2-fluoro-1-phenylethyl)sulfanyl-2-fluoroethyl]benzene is sourced from PubChem (CID 54515327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).