1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene

C14H12ClFOS — CID 139914136

IUPAC1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene
SMILESFC(COc1ccccc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFOS/c15-11-6-8-13(9-7-11)18-14(16)10-17-12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeyJSDUEGRFLWWNDO-UHFFFAOYSA-N
MW282.77 g/mol
LogP4.81
Rot. Bonds5

About 1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene

1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene (PubChem CID 139914136) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene
PubChem CID139914136
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene
SMILESFC(COc1ccccc1)Sc1ccc(Cl)cc1
InChIInChI=1S/C14H12ClFOS/c15-11-6-8-13(9-7-11)18-14(16)10-17-12-4-2-1-3-5-12/h1-9,14H,10H2
InChIKeyJSDUEGRFLWWNDO-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyethyl)propanamide
CID 27758314
2,3-difluorobutoxybenzene
CID 53412752
2,3-difluoropropoxybenzene
CID 141126062
(2-bromo-2-fluoroethoxy)benzene
CID 175098027
1-chloro-4-[fluoro(phenylsulfanyl)methyl]benzene
CID 10944930
1-chloro-4-[1-(4-chlorophenyl)sulfanyl-2-phenylethyl]sulfanylbenzene
CID 135063510
1-chloro-4-(2,2-dichloroethoxy)benzene
CID 143327001
1-chloro-4-[4-(4-phenoxyphenyl)sulfanylphenoxy]benzene
CID 139804486
2-(4-chlorophenyl)sulfanyl-3-(4-phenoxyphenyl)propanoic acid
CID 133241111
1-chloro-4-(1-fluoro-2-methylbutyl)sulfanylbenzene;ethane
CID 142240815
2-(4-chlorophenyl)sulfanyl-2-phenylethanol
CID 16735964
(4-chlorophenyl)methyl-[(2R)-2-hydroxy-3-phenoxypropyl]azanium
CID 2077749

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene?
The IUPAC name of 1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene (CID 139914136) is 1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene.
What is the SMILES notation for 1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene?
The canonical SMILES for 1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene is FC(COc1ccccc1)Sc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene?
The InChIKey is JSDUEGRFLWWNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c15-11-6-8-13(9-7-11)18-14(16)10-17-12-4-2-1-3-5-12/h1-9,14H,10H2.
What are the key properties of 1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene?
1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene has a molecular weight of 282.77 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-fluoro-2-phenoxyethyl)sulfanylbenzene is sourced from PubChem (CID 139914136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).