(2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane

C17H19F5OS — CID 155192452

IUPAC(2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane
SMILESCC(C)OC(CS(F)(F)(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19F5OS/c1-14(2)23-17(13-24(18,19,20,21)22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyNNZNACNLTGQQRE-UHFFFAOYSA-N
MW366.40 g/mol
LogP6.65
Rot. Bonds6

About (2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane

(2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane (PubChem CID 155192452) has the molecular formula C17H19F5OS and a molecular weight of 366.40 g/mol. Its IUPAC name is (2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane.

Molecular Properties

Compound Name(2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane
PubChem CID155192452
Molecular FormulaC17H19F5OS
Molecular Weight366.40 g/mol
Exact Mass366.11
IUPAC Name(2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane
SMILESCC(C)OC(CS(F)(F)(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19F5OS/c1-14(2)23-17(13-24(18,19,20,21)22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3
InChIKeyNNZNACNLTGQQRE-UHFFFAOYSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane?
The IUPAC name of (2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane (CID 155192452) is (2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane.
What is the SMILES notation for (2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane?
The canonical SMILES for (2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane is CC(C)OC(CS(F)(F)(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane?
The InChIKey is NNZNACNLTGQQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F5OS/c1-14(2)23-17(13-24(18,19,20,21)22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,14H,13H2,1-2H3.
What are the key properties of (2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane?
(2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane has a molecular weight of 366.40 g/mol, XLogP of 6.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenyl-2-propan-2-yloxyethyl)-pentafluoro-λ6-sulfane is sourced from PubChem (CID 155192452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).