2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide

C14H20FNO4S — CID 104563174

IUPAC2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
SMILESCOCCOCCOCCOc1ccc(C(N)=S)c(F)c1
InChIInChI=1S/C14H20FNO4S/c1-17-4-5-18-6-7-19-8-9-20-11-2-3-12(14(16)21)13(15)10-11/h2-3,10H,4-9H2,1H3,(H2,16,21)
InChIKeyLWIQTOFRNLCIGL-UHFFFAOYSA-N
MW317.38 g/mol
LogP1.52
Rot. Bonds11

About 2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide

2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide (PubChem CID 104563174) has the molecular formula C14H20FNO4S and a molecular weight of 317.38 g/mol. Its IUPAC name is 2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide.

Molecular Properties

Compound Name2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
PubChem CID104563174
Molecular FormulaC14H20FNO4S
Molecular Weight317.38 g/mol
Exact Mass317.11
IUPAC Name2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
SMILESCOCCOCCOCCOc1ccc(C(N)=S)c(F)c1
InChIInChI=1S/C14H20FNO4S/c1-17-4-5-18-6-7-19-8-9-20-11-2-3-12(14(16)21)13(15)10-11/h2-3,10H,4-9H2,1H3,(H2,16,21)
InChIKeyLWIQTOFRNLCIGL-UHFFFAOYSA-N
XLogP1.52
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(2-propoxyethoxy)benzenecarbothioamide
CID 106452864
5-fluoro-2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 104561810
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561759
potassium trifluoro-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]boranuide
CID 65202692
4-(2-tert-butylsulfonylethoxy)-2-fluorobenzenecarbothioamide
CID 106724915
(1R)-1-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]ethanamine
CID 107718394
3-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide
CID 104561789
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
2-[2-(2-methoxyethoxy)ethoxy]benzenecarbothioamide
CID 43291229
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
4-(2-ethoxyethoxy)-2-(trifluoromethyl)benzenecarbothioamide
CID 43320848
trifluoro-[2-fluoro-4-(2-methoxyethoxy)phenyl]boranuide
CID 65202575

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide?
The IUPAC name of 2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide (CID 104563174) is 2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide.
What is the SMILES notation for 2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide?
The canonical SMILES for 2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide is COCCOCCOCCOc1ccc(C(N)=S)c(F)c1.
What is the InChIKey of 2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide?
The InChIKey is LWIQTOFRNLCIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO4S/c1-17-4-5-18-6-7-19-8-9-20-11-2-3-12(14(16)21)13(15)10-11/h2-3,10H,4-9H2,1H3,(H2,16,21).
What are the key properties of 2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide?
2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide has a molecular weight of 317.38 g/mol, XLogP of 1.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzenecarbothioamide is sourced from PubChem (CID 104563174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).