1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol

C20H20F4O3S — CID 118212056

IUPAC1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol
SMILESCC(O)(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)C(F)(F)F
InChIInChI=1S/C20H20F4O3S/c1-18(25,20(22,23)24)14-4-6-15(7-5-14)19(12-2-3-13-19)28(26,27)17-10-8-16(21)9-11-17/h4-11,25H,2-3,12-13H2,1H3
InChIKeyRWBSXNHLRLVENO-UHFFFAOYSA-N
MW416.44 g/mol
LogP4.84
Rot. Bonds4

About 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol

1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol (PubChem CID 118212056) has the molecular formula C20H20F4O3S and a molecular weight of 416.44 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol
PubChem CID118212056
Molecular FormulaC20H20F4O3S
Molecular Weight416.44 g/mol
Exact Mass416.11
IUPAC Name1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol
SMILESCC(O)(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)C(F)(F)F
InChIInChI=1S/C20H20F4O3S/c1-18(25,20(22,23)24)14-4-6-15(7-5-14)19(12-2-3-13-19)28(26,27)17-10-8-16(21)9-11-17/h4-11,25H,2-3,12-13H2,1H3
InChIKeyRWBSXNHLRLVENO-UHFFFAOYSA-N
XLogP4.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol (CID 118212056) is 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol is CC(O)(c1ccc(C2(S(=O)(=O)c3ccc(F)cc3)CCCC2)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol?
The InChIKey is RWBSXNHLRLVENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4O3S/c1-18(25,20(22,23)24)14-4-6-15(7-5-14)19(12-2-3-13-19)28(26,27)17-10-8-16(21)9-11-17/h4-11,25H,2-3,12-13H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol?
1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol has a molecular weight of 416.44 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-ol is sourced from PubChem (CID 118212056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).