2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide

C12H14F3NOS — CID 140746980

IUPAC2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide
SMILESC[C@@H](CSCC(F)(F)F)c1ccccc1C(N)=O
InChIInChI=1S/C12H14F3NOS/c1-8(6-18-7-12(13,14)15)9-4-2-3-5-10(9)11(16)17/h2-5,8H,6-7H2,1H3,(H2,16,17)/t8-/m0/s1
InChIKeyVXCVIGYUNBZPNW-QMMMGPOBSA-N
MW277.31 g/mol
LogP3.18
Rot. Bonds5

About 2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide

2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide (PubChem CID 140746980) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is 2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide
PubChem CID140746980
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide
SMILESC[C@@H](CSCC(F)(F)F)c1ccccc1C(N)=O
InChIInChI=1S/C12H14F3NOS/c1-8(6-18-7-12(13,14)15)9-4-2-3-5-10(9)11(16)17/h2-5,8H,6-7H2,1H3,(H2,16,17)/t8-/m0/s1
InChIKeyVXCVIGYUNBZPNW-QMMMGPOBSA-N
XLogP3.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide?
The IUPAC name of 2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide (CID 140746980) is 2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide.
What is the SMILES notation for 2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide?
The canonical SMILES for 2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide is C[C@@H](CSCC(F)(F)F)c1ccccc1C(N)=O.
What is the InChIKey of 2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide?
The InChIKey is VXCVIGYUNBZPNW-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14F3NOS/c1-8(6-18-7-12(13,14)15)9-4-2-3-5-10(9)11(16)17/h2-5,8H,6-7H2,1H3,(H2,16,17)/t8-/m0/s1.
What are the key properties of 2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide?
2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide has a molecular weight of 277.31 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2,2,2-trifluoroethylsulfanyl)propan-2-yl]benzamide is sourced from PubChem (CID 140746980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).