(2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane

C19H21F5OS — CID 155206603

IUPAC(2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)CC(OC1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21F5OS/c20-26(21,22,23,24)15-19(16-9-3-1-4-10-16,17-11-5-2-6-12-17)25-18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-15H2
InChIKeyZEMJIJJMPVMWKJ-UHFFFAOYSA-N
MW392.43 g/mol
LogP7.19
Rot. Bonds6

About (2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane

(2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane (PubChem CID 155206603) has the molecular formula C19H21F5OS and a molecular weight of 392.43 g/mol. Its IUPAC name is (2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name(2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane
PubChem CID155206603
Molecular FormulaC19H21F5OS
Molecular Weight392.43 g/mol
Exact Mass392.12
IUPAC Name(2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane
SMILESFS(F)(F)(F)(F)CC(OC1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H21F5OS/c20-26(21,22,23,24)15-19(16-9-3-1-4-10-16,17-11-5-2-6-12-17)25-18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-15H2
InChIKeyZEMJIJJMPVMWKJ-UHFFFAOYSA-N
XLogP7.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.43
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane?
The IUPAC name of (2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane (CID 155206603) is (2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane.
What is the SMILES notation for (2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane?
The canonical SMILES for (2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane is FS(F)(F)(F)(F)CC(OC1CCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane?
The InChIKey is ZEMJIJJMPVMWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F5OS/c20-26(21,22,23,24)15-19(16-9-3-1-4-10-16,17-11-5-2-6-12-17)25-18-13-7-8-14-18/h1-6,9-12,18H,7-8,13-15H2.
What are the key properties of (2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane?
(2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane has a molecular weight of 392.43 g/mol, XLogP of 7.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyloxy-2,2-diphenylethyl)-pentafluoro-λ6-sulfane is sourced from PubChem (CID 155206603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).