1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea

C6H10F4N2S — CID 103520297

IUPAC1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea
SMILESCCNC(=S)NCC(F)(F)C(F)F
InChIInChI=1S/C6H10F4N2S/c1-2-11-5(13)12-3-6(9,10)4(7)8/h4H,2-3H2,1H3,(H2,11,12,13)
InChIKeyYGIPXOIJRLKHCE-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.37
Rot. Bonds4

About 1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea

1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea (PubChem CID 103520297) has the molecular formula C6H10F4N2S and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea
PubChem CID103520297
Molecular FormulaC6H10F4N2S
Molecular Weight218.22 g/mol
Exact Mass218.05
IUPAC Name1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea
SMILESCCNC(=S)NCC(F)(F)C(F)F
InChIInChI=1S/C6H10F4N2S/c1-2-11-5(13)12-3-6(9,10)4(7)8/h4H,2-3H2,1H3,(H2,11,12,13)
InChIKeyYGIPXOIJRLKHCE-UHFFFAOYSA-N
XLogP1.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea?
The IUPAC name of 1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea (CID 103520297) is 1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea.
What is the SMILES notation for 1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea?
The canonical SMILES for 1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea is CCNC(=S)NCC(F)(F)C(F)F.
What is the InChIKey of 1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea?
The InChIKey is YGIPXOIJRLKHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F4N2S/c1-2-11-5(13)12-3-6(9,10)4(7)8/h4H,2-3H2,1H3,(H2,11,12,13).
What are the key properties of 1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea?
1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea has a molecular weight of 218.22 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2,2,3,3-tetrafluoropropyl)thiourea is sourced from PubChem (CID 103520297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).