4-(2-fluorophenoxy)butanethioamide

C10H12FNOS — CID 24711611

IUPAC4-(2-fluorophenoxy)butanethioamide
SMILESNC(=S)CCCOc1ccccc1F
InChIInChI=1S/C10H12FNOS/c11-8-4-1-2-5-9(8)13-7-3-6-10(12)14/h1-2,4-5H,3,6-7H2,(H2,12,14)
InChIKeyGZVLQLBFSUIMEO-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.27
Rot. Bonds5

About 4-(2-fluorophenoxy)butanethioamide

4-(2-fluorophenoxy)butanethioamide (PubChem CID 24711611) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)butanethioamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)butanethioamide
PubChem CID24711611
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name4-(2-fluorophenoxy)butanethioamide
SMILESNC(=S)CCCOc1ccccc1F
InChIInChI=1S/C10H12FNOS/c11-8-4-1-2-5-9(8)13-7-3-6-10(12)14/h1-2,4-5H,3,6-7H2,(H2,12,14)
InChIKeyGZVLQLBFSUIMEO-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

2-(4-amino-4-sulfanylidenebutoxy)benzamide
CID 24698755
4-(4-fluorophenoxy)butanethioamide
CID 24702572
4-[2-(2-fluorophenoxy)ethoxy]benzenecarbothioamide
CID 43290949
4-(2-fluorophenoxy)butan-1-ol
CID 43509993
3-(2-fluorophenoxy)propane-1-thiol
CID 79001947
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
4-(2,6-dimethoxyphenoxy)butanethioamide
CID 24696993
4-(2-fluorophenoxy)butan-2-one
CID 28948853
1-fluoro-2-(2-iodoethoxy)benzene
CID 64787952
1-(3-amino-1,2,4-triazol-1-yl)-4-(2-fluorophenoxy)butan-1-one
CID 110486515
2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide
CID 47068143
2-(2-fluorophenoxy)ethylhydrazine
CID 82125131

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)butanethioamide?
The IUPAC name of 4-(2-fluorophenoxy)butanethioamide (CID 24711611) is 4-(2-fluorophenoxy)butanethioamide.
What is the SMILES notation for 4-(2-fluorophenoxy)butanethioamide?
The canonical SMILES for 4-(2-fluorophenoxy)butanethioamide is NC(=S)CCCOc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)butanethioamide?
The InChIKey is GZVLQLBFSUIMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c11-8-4-1-2-5-9(8)13-7-3-6-10(12)14/h1-2,4-5H,3,6-7H2,(H2,12,14).
What are the key properties of 4-(2-fluorophenoxy)butanethioamide?
4-(2-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-(2-fluorophenoxy)butanethioamide is sourced from PubChem (CID 24711611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).