2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide

C12H20F4N2OS — CID 106292835

IUPAC2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
SMILESCCCC(CCC)(C(=O)NCC(F)(F)C(F)F)C(N)=S
InChIInChI=1S/C12H20F4N2OS/c1-3-5-11(6-4-2,9(17)20)10(19)18-7-12(15,16)8(13)14/h8H,3-7H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyBBGDHCJIFGNSEZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.88
Rot. Bonds9

About 2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide

2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide (PubChem CID 106292835) has the molecular formula C12H20F4N2OS and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide.

Molecular Properties

Compound Name2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
PubChem CID106292835
Molecular FormulaC12H20F4N2OS
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
SMILESCCCC(CCC)(C(=O)NCC(F)(F)C(F)F)C(N)=S
InChIInChI=1S/C12H20F4N2OS/c1-3-5-11(6-4-2,9(17)20)10(19)18-7-12(15,16)8(13)14/h8H,3-7H2,1-2H3,(H2,17,20)(H,18,19)
InChIKeyBBGDHCJIFGNSEZ-UHFFFAOYSA-N
XLogP2.88
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
The IUPAC name of 2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide (CID 106292835) is 2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide.
What is the SMILES notation for 2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
The canonical SMILES for 2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide is CCCC(CCC)(C(=O)NCC(F)(F)C(F)F)C(N)=S.
What is the InChIKey of 2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
The InChIKey is BBGDHCJIFGNSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4N2OS/c1-3-5-11(6-4-2,9(17)20)10(19)18-7-12(15,16)8(13)14/h8H,3-7H2,1-2H3,(H2,17,20)(H,18,19).
What are the key properties of 2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide has a molecular weight of 316.36 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-2-propyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide is sourced from PubChem (CID 106292835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).