1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea

C8H17FN2OS — CID 165494786

IUPAC1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea
SMILESCOCC(C)CNC(=S)NCCF
InChIInChI=1S/C8H17FN2OS/c1-7(6-12-2)5-11-8(13)10-4-3-9/h7H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeySFPJKUUTDWQYPH-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.70
Rot. Bonds6

About 1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea

1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea (PubChem CID 165494786) has the molecular formula C8H17FN2OS and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea.

Molecular Properties

Compound Name1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea
PubChem CID165494786
Molecular FormulaC8H17FN2OS
Molecular Weight208.30 g/mol
Exact Mass208.10
IUPAC Name1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea
SMILESCOCC(C)CNC(=S)NCCF
InChIInChI=1S/C8H17FN2OS/c1-7(6-12-2)5-11-8(13)10-4-3-9/h7H,3-6H2,1-2H3,(H2,10,11,13)
InChIKeySFPJKUUTDWQYPH-UHFFFAOYSA-N
XLogP0.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea?
The IUPAC name of 1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea (CID 165494786) is 1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea.
What is the SMILES notation for 1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea?
The canonical SMILES for 1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea is COCC(C)CNC(=S)NCCF.
What is the InChIKey of 1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea?
The InChIKey is SFPJKUUTDWQYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2OS/c1-7(6-12-2)5-11-8(13)10-4-3-9/h7H,3-6H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea?
1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea has a molecular weight of 208.30 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-3-(3-methoxy-2-methylpropyl)thiourea is sourced from PubChem (CID 165494786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).