4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide

C10H9F4NOS — CID 107029487

IUPAC4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1ccc(F)c(S)c1
InChIInChI=1S/C10H9F4NOS/c11-7-2-1-6(5-8(7)17)9(16)15-4-3-10(12,13)14/h1-2,5,17H,3-4H2,(H,15,16)
InChIKeyOWBJENFLMCDHQH-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.80
Rot. Bonds3

About 4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide

4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 107029487) has the molecular formula C10H9F4NOS and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID107029487
Molecular FormulaC10H9F4NOS
Molecular Weight267.25 g/mol
Exact Mass267.03
IUPAC Name4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide
SMILESO=C(NCCC(F)(F)F)c1ccc(F)c(S)c1
InChIInChI=1S/C10H9F4NOS/c11-7-2-1-6(5-8(7)17)9(16)15-4-3-10(12,13)14/h1-2,5,17H,3-4H2,(H,15,16)
InChIKeyOWBJENFLMCDHQH-UHFFFAOYSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-propyl-3-sulfanylbenzamide
CID 107019371
4-fluoro-N-(6-hydroxyhexyl)-3-sulfanylbenzamide
CID 114009456
4-bromo-3-(trifluoromethyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 81433410
3,4,5-trifluoro-N-(3,3,3-trifluoropropyl)benzamide
CID 55175919
N-[2-(diethylamino)ethyl]-4-fluoro-3-sulfanylbenzamide
CID 107019684
3-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839347
N-(3-butoxypropyl)-4-fluoro-3-sulfanylbenzamide
CID 107035417
N-[(2,5-difluorophenyl)methyl]-4-fluoro-3-sulfanylbenzamide
CID 107030045
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-sulfanylbenzamide
CID 106248577
N-(2-cyclopentyloxyethyl)-4-fluoro-3-sulfanylbenzamide
CID 107030113
4-fluoro-N-(2-imidazol-1-ylethyl)-3-sulfanylbenzamide
CID 107024935
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide (CID 107029487) is 4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide is O=C(NCCC(F)(F)F)c1ccc(F)c(S)c1.
What is the InChIKey of 4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is OWBJENFLMCDHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NOS/c11-7-2-1-6(5-8(7)17)9(16)15-4-3-10(12,13)14/h1-2,5,17H,3-4H2,(H,15,16).
What are the key properties of 4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide?
4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 267.25 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-sulfanyl-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 107029487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).