2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane

C15H17F3OS — CID 118432552

IUPAC2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane
SMILESFC(F)(F)c1cccc(SC2CCOC(C3CC3)C2)c1
InChIInChI=1S/C15H17F3OS/c16-15(17,18)11-2-1-3-12(8-11)20-13-6-7-19-14(9-13)10-4-5-10/h1-3,8,10,13-14H,4-7,9H2
InChIKeyGVLKCRMUFQKPTB-UHFFFAOYSA-N
MW302.36 g/mol
LogP4.76
Rot. Bonds3

About 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane

2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane (PubChem CID 118432552) has the molecular formula C15H17F3OS and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane.

Molecular Properties

Compound Name2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane
PubChem CID118432552
Molecular FormulaC15H17F3OS
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC Name2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane
SMILESFC(F)(F)c1cccc(SC2CCOC(C3CC3)C2)c1
InChIInChI=1S/C15H17F3OS/c16-15(17,18)11-2-1-3-12(8-11)20-13-6-7-19-14(9-13)10-4-5-10/h1-3,8,10,13-14H,4-7,9H2
InChIKeyGVLKCRMUFQKPTB-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane?
The IUPAC name of 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane (CID 118432552) is 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane.
What is the SMILES notation for 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane?
The canonical SMILES for 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane is FC(F)(F)c1cccc(SC2CCOC(C3CC3)C2)c1.
What is the InChIKey of 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane?
The InChIKey is GVLKCRMUFQKPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3OS/c16-15(17,18)11-2-1-3-12(8-11)20-13-6-7-19-14(9-13)10-4-5-10/h1-3,8,10,13-14H,4-7,9H2.
What are the key properties of 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane?
2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane has a molecular weight of 302.36 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[3-(trifluoromethyl)phenyl]sulfanyloxane is sourced from PubChem (CID 118432552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).