butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane

C6H9F6PS — CID 544621

IUPACbutyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane
SMILESCCCCP(=S)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6PS/c1-2-3-4-13(14,5(7,8)9)6(10,11)12/h2-4H2,1H3
InChIKeyPLDZOSTWZGRHJQ-UHFFFAOYSA-N
MW258.17 g/mol
LogP4.31
Rot. Bonds3

About butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane

butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane (PubChem CID 544621) has the molecular formula C6H9F6PS and a molecular weight of 258.17 g/mol. Its IUPAC name is butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane.

Molecular Properties

Compound Namebutyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane
PubChem CID544621
Molecular FormulaC6H9F6PS
Molecular Weight258.17 g/mol
Exact Mass258.01
IUPAC Namebutyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane
SMILESCCCCP(=S)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6PS/c1-2-3-4-13(14,5(7,8)9)6(10,11)12/h2-4H2,1H3
InChIKeyPLDZOSTWZGRHJQ-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane?
The IUPAC name of butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane (CID 544621) is butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane.
What is the SMILES notation for butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane?
The canonical SMILES for butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane is CCCCP(=S)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane?
The InChIKey is PLDZOSTWZGRHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6PS/c1-2-3-4-13(14,5(7,8)9)6(10,11)12/h2-4H2,1H3.
What are the key properties of butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane?
butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane has a molecular weight of 258.17 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-sulfanylidene-bis(trifluoromethyl)-lambda5-phosphane is sourced from PubChem (CID 544621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).