pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane

C12H13F5OS — CID 166441949

IUPACpentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane
SMILESCC1(c2ccccc2)C/C(=C/S(F)(F)(F)(F)F)CO1
InChIInChI=1S/C12H13F5OS/c1-12(11-5-3-2-4-6-11)7-10(8-18-12)9-19(13,14,15,16)17/h2-6,9H,7-8H2,1H3/b10-9-
InChIKeyQAEJTPGGBFJUBB-KTKRTIGZSA-N
MW300.29 g/mol
LogP5.50
Rot. Bonds2

About pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane

pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane (PubChem CID 166441949) has the molecular formula C12H13F5OS and a molecular weight of 300.29 g/mol. Its IUPAC name is pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane
PubChem CID166441949
Molecular FormulaC12H13F5OS
Molecular Weight300.29 g/mol
Exact Mass300.06
IUPAC Namepentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane
SMILESCC1(c2ccccc2)C/C(=C/S(F)(F)(F)(F)F)CO1
InChIInChI=1S/C12H13F5OS/c1-12(11-5-3-2-4-6-11)7-10(8-18-12)9-19(13,14,15,16)17/h2-6,9H,7-8H2,1H3/b10-9-
InChIKeyQAEJTPGGBFJUBB-KTKRTIGZSA-N
XLogP5.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.29
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane (CID 166441949) is pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane is CC1(c2ccccc2)C/C(=C/S(F)(F)(F)(F)F)CO1.
What is the InChIKey of pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane?
The InChIKey is QAEJTPGGBFJUBB-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H13F5OS/c1-12(11-5-3-2-4-6-11)7-10(8-18-12)9-19(13,14,15,16)17/h2-6,9H,7-8H2,1H3/b10-9-.
What are the key properties of pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane?
pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane has a molecular weight of 300.29 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[(Z)-(5-methyl-5-phenyloxolan-3-ylidene)methyl]-λ6-sulfane is sourced from PubChem (CID 166441949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).