4-(4-fluorophenoxy)butanethioamide

C10H12FNOS — CID 24702572

IUPAC4-(4-fluorophenoxy)butanethioamide
SMILESNC(=S)CCCOc1ccc(F)cc1
InChIInChI=1S/C10H12FNOS/c11-8-3-5-9(6-4-8)13-7-1-2-10(12)14/h3-6H,1-2,7H2,(H2,12,14)
InChIKeyFEUQMTHZWWKUKX-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.27
Rot. Bonds5

About 4-(4-fluorophenoxy)butanethioamide

4-(4-fluorophenoxy)butanethioamide (PubChem CID 24702572) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)butanethioamide.

Molecular Properties

Compound Name4-(4-fluorophenoxy)butanethioamide
PubChem CID24702572
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name4-(4-fluorophenoxy)butanethioamide
SMILESNC(=S)CCCOc1ccc(F)cc1
InChIInChI=1S/C10H12FNOS/c11-8-3-5-9(6-4-8)13-7-1-2-10(12)14/h3-6H,1-2,7H2,(H2,12,14)
InChIKeyFEUQMTHZWWKUKX-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-(4-fluorophenoxy)butanamide
CID 43244704
4-(4-propan-2-ylphenoxy)butanethioamide
CID 24692673
5-[4-(trifluoromethyl)phenoxy]pentanethioamide
CID 54966496
4-(2-fluorophenoxy)butanethioamide
CID 24711611
3-(4-fluorophenoxy)propyl carbamate
CID 154235028
5-(4-fluorophenoxy)-2-oxopentanoic acid
CID 57302572
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
2-[2-(4-fluorophenoxy)ethoxy]benzenecarbothioamide
CID 22682040
5-[4-fluoro-3-(trifluoromethyl)phenoxy]pentanethioamide
CID 102747160
3-(4-fluorophenoxy)propylazanium
CID 42036216
methyl 2-[4-(4-fluorophenoxy)butanoylamino]propanoate
CID 60724668
4-[3-(3-fluorophenoxy)propoxy]benzenecarbothioamide
CID 43291028

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)butanethioamide?
The IUPAC name of 4-(4-fluorophenoxy)butanethioamide (CID 24702572) is 4-(4-fluorophenoxy)butanethioamide.
What is the SMILES notation for 4-(4-fluorophenoxy)butanethioamide?
The canonical SMILES for 4-(4-fluorophenoxy)butanethioamide is NC(=S)CCCOc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)butanethioamide?
The InChIKey is FEUQMTHZWWKUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c11-8-3-5-9(6-4-8)13-7-1-2-10(12)14/h3-6H,1-2,7H2,(H2,12,14).
What are the key properties of 4-(4-fluorophenoxy)butanethioamide?
4-(4-fluorophenoxy)butanethioamide has a molecular weight of 213.28 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)butanethioamide is sourced from PubChem (CID 24702572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).