2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C14H12F3NO2S — CID 115945227

IUPAC2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccc(O)c2ccccc12)NCC(F)(F)F
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)8-18-13(20)7-21-12-6-5-11(19)9-3-1-2-4-10(9)12/h1-6,19H,7-8H2,(H,18,20)
InChIKeyUIUCCOXYBNFMQJ-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.32
Rot. Bonds4

About 2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 115945227) has the molecular formula C14H12F3NO2S and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID115945227
Molecular FormulaC14H12F3NO2S
Molecular Weight315.32 g/mol
Exact Mass315.05
IUPAC Name2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CSc1ccc(O)c2ccccc12)NCC(F)(F)F
InChIInChI=1S/C14H12F3NO2S/c15-14(16,17)8-18-13(20)7-21-12-6-5-11(19)9-3-1-2-4-10(9)12/h1-6,19H,7-8H2,(H,18,20)
InChIKeyUIUCCOXYBNFMQJ-UHFFFAOYSA-N
XLogP3.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 112596022
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CID 20074656
CID 20074656
CID 20074717
CID 20074717
CID 163738323
CID 163738323
CID 102689557
CID 102689557
CID 102820464
CID 102820464
CID 105061395
CID 105061395
CID 106318389
CID 106318389
CID 107392136
CID 107392136

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 115945227) is 2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is O=C(CSc1ccc(O)c2ccccc12)NCC(F)(F)F.
What is the InChIKey of 2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UIUCCOXYBNFMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2S/c15-14(16,17)8-18-13(20)7-21-12-6-5-11(19)9-3-1-2-4-10(9)12/h1-6,19H,7-8H2,(H,18,20).
What are the key properties of 2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 315.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxynaphthalen-1-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 115945227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).