1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene

C10H10ClF3OS — CID 122395247

IUPAC1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene
SMILESCC(C)(OSC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClF3OS/c1-9(2,15-16-10(12,13)14)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKeyCAZYTODCMHCIIM-UHFFFAOYSA-N
MW270.70 g/mol
LogP4.76
Rot. Bonds3

About 1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene

1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene (PubChem CID 122395247) has the molecular formula C10H10ClF3OS and a molecular weight of 270.70 g/mol. Its IUPAC name is 1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene
PubChem CID122395247
Molecular FormulaC10H10ClF3OS
Molecular Weight270.70 g/mol
Exact Mass270.01
IUPAC Name1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene
SMILESCC(C)(OSC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClF3OS/c1-9(2,15-16-10(12,13)14)7-3-5-8(11)6-4-7/h3-6H,1-2H3
InChIKeyCAZYTODCMHCIIM-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
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2-(4-chlorophenyl)propan-2-yl acetate
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1-chloro-4-(1,1-dichloroethyl)benzene
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2-(4-chlorophenyl)-N-methylpropan-2-amine
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CID 91751426
1-chloro-4-(2-iodopropan-2-yl)benzene
CID 135213341
1-chloro-4-(2,2,3,4,4-pentamethylpentan-3-yl)benzene
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(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one
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2-(4-chlorophenyl)-2,2-difluoroacetonitrile
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4-tert-butyl-N-(4-chlorophenyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene?
The IUPAC name of 1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene (CID 122395247) is 1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene.
What is the SMILES notation for 1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene?
The canonical SMILES for 1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene is CC(C)(OSC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene?
The InChIKey is CAZYTODCMHCIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3OS/c1-9(2,15-16-10(12,13)14)7-3-5-8(11)6-4-7/h3-6H,1-2H3.
What are the key properties of 1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene?
1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene has a molecular weight of 270.70 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(trifluoromethylsulfanyloxy)propan-2-yl]benzene is sourced from PubChem (CID 122395247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).