4-[4-(trifluoromethylsulfinyl)phenyl]butanamide

C11H12F3NO2S — CID 66848963

IUPAC4-[4-(trifluoromethylsulfinyl)phenyl]butanamide
SMILESNC(=O)CCCc1ccc(S(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)18(17)9-6-4-8(5-7-9)2-1-3-10(15)16/h4-7H,1-3H2,(H2,15,16)
InChIKeyCTQGCNDNVFQJDD-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.12
Rot. Bonds5

About 4-[4-(trifluoromethylsulfinyl)phenyl]butanamide

4-[4-(trifluoromethylsulfinyl)phenyl]butanamide (PubChem CID 66848963) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is 4-[4-(trifluoromethylsulfinyl)phenyl]butanamide.

Molecular Properties

Compound Name4-[4-(trifluoromethylsulfinyl)phenyl]butanamide
PubChem CID66848963
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC Name4-[4-(trifluoromethylsulfinyl)phenyl]butanamide
SMILESNC(=O)CCCc1ccc(S(=O)C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2S/c12-11(13,14)18(17)9-6-4-8(5-7-9)2-1-3-10(15)16/h4-7H,1-3H2,(H2,15,16)
InChIKeyCTQGCNDNVFQJDD-UHFFFAOYSA-N
XLogP2.12
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethylsulfinyl)phenyl]butanamide?
The IUPAC name of 4-[4-(trifluoromethylsulfinyl)phenyl]butanamide (CID 66848963) is 4-[4-(trifluoromethylsulfinyl)phenyl]butanamide.
What is the SMILES notation for 4-[4-(trifluoromethylsulfinyl)phenyl]butanamide?
The canonical SMILES for 4-[4-(trifluoromethylsulfinyl)phenyl]butanamide is NC(=O)CCCc1ccc(S(=O)C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethylsulfinyl)phenyl]butanamide?
The InChIKey is CTQGCNDNVFQJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c12-11(13,14)18(17)9-6-4-8(5-7-9)2-1-3-10(15)16/h4-7H,1-3H2,(H2,15,16).
What are the key properties of 4-[4-(trifluoromethylsulfinyl)phenyl]butanamide?
4-[4-(trifluoromethylsulfinyl)phenyl]butanamide has a molecular weight of 279.28 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethylsulfinyl)phenyl]butanamide is sourced from PubChem (CID 66848963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).