1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol

C26H24F4O3S — CID 118220712

IUPAC1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(O)(Cc3ccccc3)C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C26H24F4O3S/c27-22-12-14-23(15-13-22)34(32,33)24(16-4-5-17-24)20-8-10-21(11-9-20)25(31,26(28,29)30)18-19-6-2-1-3-7-19/h1-3,6-15,31H,4-5,16-18H2
InChIKeyFCMNBGYMIYCNIS-UHFFFAOYSA-N
MW492.53 g/mol
LogP6.06
Rot. Bonds6

About 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol

1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol (PubChem CID 118220712) has the molecular formula C26H24F4O3S and a molecular weight of 492.53 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol
PubChem CID118220712
Molecular FormulaC26H24F4O3S
Molecular Weight492.53 g/mol
Exact Mass492.14
IUPAC Name1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(O)(Cc3ccccc3)C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C26H24F4O3S/c27-22-12-14-23(15-13-22)34(32,33)24(16-4-5-17-24)20-8-10-21(11-9-20)25(31,26(28,29)30)18-19-6-2-1-3-7-19/h1-3,6-15,31H,4-5,16-18H2
InChIKeyFCMNBGYMIYCNIS-UHFFFAOYSA-N
XLogP6.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.53
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol (CID 118220712) is 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol is O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(O)(Cc3ccccc3)C(F)(F)F)cc2)CCCC1.
What is the InChIKey of 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol?
The InChIKey is FCMNBGYMIYCNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F4O3S/c27-22-12-14-23(15-13-22)34(32,33)24(16-4-5-17-24)20-8-10-21(11-9-20)25(31,26(28,29)30)18-19-6-2-1-3-7-19/h1-3,6-15,31H,4-5,16-18H2.
What are the key properties of 1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol?
1,1,1-trifluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]-3-phenylpropan-2-ol has a molecular weight of 492.53 g/mol, XLogP of 6.06, 6 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]-3-phenylpropan-2-ol is sourced from PubChem (CID 118220712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).