2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene

C10H10F3IOS — CID 174771462

IUPAC2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene
SMILESCC(C)SOc1ccc(C(F)(F)F)cc1I
InChIInChI=1S/C10H10F3IOS/c1-6(2)16-15-9-4-3-7(5-8(9)14)10(11,12)13/h3-6H,1-2H3
InChIKeyFUCVLWDFEYADCD-UHFFFAOYSA-N
MW362.15 g/mol
LogP4.75
Rot. Bonds3

About 2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene

2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene (PubChem CID 174771462) has the molecular formula C10H10F3IOS and a molecular weight of 362.15 g/mol. Its IUPAC name is 2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene
PubChem CID174771462
Molecular FormulaC10H10F3IOS
Molecular Weight362.15 g/mol
Exact Mass361.94
IUPAC Name2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene
SMILESCC(C)SOc1ccc(C(F)(F)F)cc1I
InChIInChI=1S/C10H10F3IOS/c1-6(2)16-15-9-4-3-7(5-8(9)14)10(11,12)13/h3-6H,1-2H3
InChIKeyFUCVLWDFEYADCD-UHFFFAOYSA-N
XLogP4.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.15
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-1-(4-methoxyphenoxy)-4-(trifluoromethyl)benzene
CID 134929204
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
CID 164892007
2-propan-2-yloxy-5-(trifluoromethyl)aniline;hydrochloride
CID 2894791
2-(difluoromethyl)-1-methoxy-4-(trifluoromethyl)benzene
CID 46311740
1-methoxy-2-(2-methylpropoxy)-4-(trifluoromethyl)benzene
CID 163970226
2-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
CID 157049199
(4-tert-butyl-2-iodophenyl) trifluoromethanesulfonate
CID 121223682
[2-methoxy-4-(trifluoromethyl)phenyl]phosphane
CID 151566843
2-chloro-1-iodo-4-(trifluoromethyl)benzene
CID 2736612
1-iodo-3-methylsulfanyl-2,5-bis(trifluoromethyl)benzene
CID 119011325
1-ethoxy-2-hept-4-yn-2-yl-4-(trifluoromethyl)benzene
CID 83921221

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene?
The IUPAC name of 2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene (CID 174771462) is 2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene is CC(C)SOc1ccc(C(F)(F)F)cc1I.
What is the InChIKey of 2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene?
The InChIKey is FUCVLWDFEYADCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3IOS/c1-6(2)16-15-9-4-3-7(5-8(9)14)10(11,12)13/h3-6H,1-2H3.
What are the key properties of 2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene?
2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene has a molecular weight of 362.15 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-propan-2-ylsulfanyloxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 174771462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).