1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene

C17H21F3O3S — CID 90106141

IUPAC1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene
SMILESO=S(=O)(c1ccccc1C(F)(F)F)[C@@H]1CC[C@@H](OC2CCCC2)C1
InChIInChI=1S/C17H21F3O3S/c18-17(19,20)15-7-3-4-8-16(15)24(21,22)14-10-9-13(11-14)23-12-5-1-2-6-12/h3-4,7-8,12-14H,1-2,5-6,9-11H2/t13-,14-/m1/s1
InChIKeyHQYSRLFZTXWZEP-ZIAGYGMSSA-N
MW362.41 g/mol
LogP4.36
Rot. Bonds4

About 1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene

1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene (PubChem CID 90106141) has the molecular formula C17H21F3O3S and a molecular weight of 362.41 g/mol. Its IUPAC name is 1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene
PubChem CID90106141
Molecular FormulaC17H21F3O3S
Molecular Weight362.41 g/mol
Exact Mass362.12
IUPAC Name1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene
SMILESO=S(=O)(c1ccccc1C(F)(F)F)[C@@H]1CC[C@@H](OC2CCCC2)C1
InChIInChI=1S/C17H21F3O3S/c18-17(19,20)15-7-3-4-8-16(15)24(21,22)14-10-9-13(11-14)23-12-5-1-2-6-12/h3-4,7-8,12-14H,1-2,5-6,9-11H2/t13-,14-/m1/s1
InChIKeyHQYSRLFZTXWZEP-ZIAGYGMSSA-N
XLogP4.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-(2-propan-2-yloxyethylsulfonyl)benzene
CID 71981822
1-(2-Propan-2-yloxyethylsulfonyl)-3-(trifluoromethyl)benzene
CID 71865106
1-Toluenesulfonyl-6,6-difluoro-6-(perfluoro-2-butoxyethoxy)hexane
CID 88196538
carbonic acid;1-[(1R,3R)-3-cyclobutyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene
CID 90107218
carbonic acid;1-[(1S,3S)-3-cyclobutyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene
CID 90107384
4-[3-[2-(Trifluoromethyl)phenyl]sulfonylcyclopentyl]oxythiane 1,1-dioxide
CID 90938215
1-(3-Cyclobutyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene
CID 91115809
1-(3-Methoxycyclopentyl)sulfonyl-4-phenyl-2-(trifluoromethyl)benzene
CID 91166032
2-Fluoro-4-propan-2-yl-1-(3-propan-2-yloxycyclopentyl)sulfonylbenzene
CID 91193741
2-Methyl-4-[3-(trifluoromethyl)phenyl]sulfonyloxane
CID 118445047
4-Bromo-1-(3-cyclopentyloxycyclopentyl)sulfonyl-2-(trifluoromethyl)benzene
CID 141282837
1-(3-Methoxycyclopentyl)sulfanyl-2-(trifluoromethyl)benzene
CID 141282852

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene (CID 90106141) is 1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene is O=S(=O)(c1ccccc1C(F)(F)F)[C@@H]1CC[C@@H](OC2CCCC2)C1.
What is the InChIKey of 1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene?
The InChIKey is HQYSRLFZTXWZEP-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H21F3O3S/c18-17(19,20)15-7-3-4-8-16(15)24(21,22)14-10-9-13(11-14)23-12-5-1-2-6-12/h3-4,7-8,12-14H,1-2,5-6,9-11H2/t13-,14-/m1/s1.
What are the key properties of 1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene?
1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene has a molecular weight of 362.41 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3R)-3-cyclopentyloxycyclopentyl]sulfonyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 90106141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).