N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide

C10H10F3NOS — CID 145190604

IUPACN-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide
SMILESC[C@@H](NC=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NOS/c1-7(14-6-15)8-2-4-9(5-3-8)16-10(11,12)13/h2-7H,1H3,(H,14,15)/t7-/m1/s1
InChIKeyJVIYUIYAMFJQJR-SSDOTTSWSA-N
MW249.26 g/mol
LogP3.11
Rot. Bonds4

About N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide

N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide (PubChem CID 145190604) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide
PubChem CID145190604
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC NameN-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide
SMILESC[C@@H](NC=O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H10F3NOS/c1-7(14-6-15)8-2-4-9(5-3-8)16-10(11,12)13/h2-7H,1H3,(H,14,15)/t7-/m1/s1
InChIKeyJVIYUIYAMFJQJR-SSDOTTSWSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide?
The IUPAC name of N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide (CID 145190604) is N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide.
What is the SMILES notation for N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide?
The canonical SMILES for N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide is C[C@@H](NC=O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide?
The InChIKey is JVIYUIYAMFJQJR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H10F3NOS/c1-7(14-6-15)8-2-4-9(5-3-8)16-10(11,12)13/h2-7H,1H3,(H,14,15)/t7-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide?
N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide has a molecular weight of 249.26 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethyl]formamide is sourced from PubChem (CID 145190604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).