propyl(trifluoromethylsulfonyl)phosphane

C4H8F3O2PS — CID 146665742

IUPACpropyl(trifluoromethylsulfonyl)phosphane
SMILESCCCPS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3O2PS/c1-2-3-10-11(8,9)4(5,6)7/h10H,2-3H2,1H3
InChIKeyQMKBFJYIHOHYJK-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.92
Rot. Bonds3

About propyl(trifluoromethylsulfonyl)phosphane

propyl(trifluoromethylsulfonyl)phosphane (PubChem CID 146665742) has the molecular formula C4H8F3O2PS and a molecular weight of 208.14 g/mol. Its IUPAC name is propyl(trifluoromethylsulfonyl)phosphane.

Molecular Properties

Compound Namepropyl(trifluoromethylsulfonyl)phosphane
PubChem CID146665742
Molecular FormulaC4H8F3O2PS
Molecular Weight208.14 g/mol
Exact Mass207.99
IUPAC Namepropyl(trifluoromethylsulfonyl)phosphane
SMILESCCCPS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3O2PS/c1-2-3-10-11(8,9)4(5,6)7/h10H,2-3H2,1H3
InChIKeyQMKBFJYIHOHYJK-UHFFFAOYSA-N
XLogP1.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(trifluoromethylsulfonylmethylsulfonyl)ethane
CID 123864509
bis(trifluoromethylsulfonyl)phosphane;triethyl(heptyl)azanium
CID 171922946
tricosane;trifluoromethanesulfonic acid
CID 161255361
1-(1,1-difluoropropylsulfonyl)-1,1-difluoropropane
CID 87625513
propyl(trifluoromethyl)phosphane
CID 21096795
1-iodopentane;trifluoromethanesulfonic acid
CID 174771311
bis(trifluoromethylsulfonyl)phosphane;ethyl-hexyl-dimethylazanium
CID 162622861
1,1-bis(trifluoromethylsulfonyl)butan-1-ol
CID 21467863
1-[bis(trifluoromethylsulfonyl)methylsulfonyl]ethane
CID 89277222
bis(trifluoromethylsulfonyl)azanide;tetrapropylazanium
CID 141376230
1,2-bis(trifluoromethylsulfonyl)ethane
CID 141114696
1-(trifluoromethylsulfonylmethylsulfanyl)ethane
CID 131227193

Frequently Asked Questions

What is the IUPAC name of propyl(trifluoromethylsulfonyl)phosphane?
The IUPAC name of propyl(trifluoromethylsulfonyl)phosphane (CID 146665742) is propyl(trifluoromethylsulfonyl)phosphane.
What is the SMILES notation for propyl(trifluoromethylsulfonyl)phosphane?
The canonical SMILES for propyl(trifluoromethylsulfonyl)phosphane is CCCPS(=O)(=O)C(F)(F)F.
What is the InChIKey of propyl(trifluoromethylsulfonyl)phosphane?
The InChIKey is QMKBFJYIHOHYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3O2PS/c1-2-3-10-11(8,9)4(5,6)7/h10H,2-3H2,1H3.
What are the key properties of propyl(trifluoromethylsulfonyl)phosphane?
propyl(trifluoromethylsulfonyl)phosphane has a molecular weight of 208.14 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl(trifluoromethylsulfonyl)phosphane is sourced from PubChem (CID 146665742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).