1,3-bis(trifluoromethylsulfanyl)prop-1-ene

C5H4F6S2 — CID 71418135

IUPAC1,3-bis(trifluoromethylsulfanyl)prop-1-ene
SMILESFC(F)(F)SC=CCSC(F)(F)F
InChIInChI=1S/C5H4F6S2/c6-4(7,8)12-2-1-3-13-5(9,10)11/h1-2H,3H2
InChIKeyDKRHOXMTZHDIGP-UHFFFAOYSA-N
MW242.21 g/mol
LogP4.01
Rot. Bonds3

About 1,3-bis(trifluoromethylsulfanyl)prop-1-ene

1,3-bis(trifluoromethylsulfanyl)prop-1-ene (PubChem CID 71418135) has the molecular formula C5H4F6S2 and a molecular weight of 242.21 g/mol. Its IUPAC name is 1,3-bis(trifluoromethylsulfanyl)prop-1-ene.

Molecular Properties

Compound Name1,3-bis(trifluoromethylsulfanyl)prop-1-ene
PubChem CID71418135
Molecular FormulaC5H4F6S2
Molecular Weight242.21 g/mol
Exact Mass241.97
IUPAC Name1,3-bis(trifluoromethylsulfanyl)prop-1-ene
SMILESFC(F)(F)SC=CCSC(F)(F)F
InChIInChI=1S/C5H4F6S2/c6-4(7,8)12-2-1-3-13-5(9,10)11/h1-2H,3H2
InChIKeyDKRHOXMTZHDIGP-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trifluoromethylsulfanyl)prop-1-ene?
The IUPAC name of 1,3-bis(trifluoromethylsulfanyl)prop-1-ene (CID 71418135) is 1,3-bis(trifluoromethylsulfanyl)prop-1-ene.
What is the SMILES notation for 1,3-bis(trifluoromethylsulfanyl)prop-1-ene?
The canonical SMILES for 1,3-bis(trifluoromethylsulfanyl)prop-1-ene is FC(F)(F)SC=CCSC(F)(F)F.
What is the InChIKey of 1,3-bis(trifluoromethylsulfanyl)prop-1-ene?
The InChIKey is DKRHOXMTZHDIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6S2/c6-4(7,8)12-2-1-3-13-5(9,10)11/h1-2H,3H2.
What are the key properties of 1,3-bis(trifluoromethylsulfanyl)prop-1-ene?
1,3-bis(trifluoromethylsulfanyl)prop-1-ene has a molecular weight of 242.21 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trifluoromethylsulfanyl)prop-1-ene is sourced from PubChem (CID 71418135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).