2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C10H9F4NOS — CID 45497209

IUPAC2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(F)(F)F
InChIInChI=1S/C10H9F4NOS/c11-7-1-3-8(4-2-7)17-5-9(16)15-6-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyKVPMWRHCMJAVEK-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.60
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 45497209) has the molecular formula C10H9F4NOS and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID45497209
Molecular FormulaC10H9F4NOS
Molecular Weight267.25 g/mol
Exact Mass267.03
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCC(F)(F)F
InChIInChI=1S/C10H9F4NOS/c11-7-1-3-8(4-2-7)17-5-9(16)15-6-10(12,13)14/h1-4H,5-6H2,(H,15,16)
InChIKeyKVPMWRHCMJAVEK-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 45497209) is 2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1ccc(F)cc1)NCC(F)(F)F.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KVPMWRHCMJAVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NOS/c11-7-1-3-8(4-2-7)17-5-9(16)15-6-10(12,13)14/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 267.25 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 45497209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).