N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

C7H12F3NO2S — CID 107494898

IUPACN-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCS)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)5-11(2-3-12)6(13)1-4-14/h12,14H,1-5H2
InChIKeyBCMQPJOZDFGGRQ-UHFFFAOYSA-N
MW231.24 g/mol
LogP0.69
Rot. Bonds5

About N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide

N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 107494898) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID107494898
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC NameN-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCS)N(CCO)CC(F)(F)F
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)5-11(2-3-12)6(13)1-4-14/h12,14H,1-5H2
InChIKeyBCMQPJOZDFGGRQ-UHFFFAOYSA-N
XLogP0.69
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N,N-bis(2-hydroxyethyl)propanamide
CID 61235446
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 64591266
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103857491
2,2,3,3-tetrafluoro-N,N-bis(2-hydroxyethyl)propanamide
CID 103915330
N-(2-hydroxyethyl)-2-methylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 103915338
N-(2-hydroxyethyl)-3-methylsulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 103915542
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylsulfanylpropanamide
CID 107482425
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
CID 107482430
N-(2,2-difluoroethyl)-3,3,3-trifluoro-N-(2-hydroxyethyl)propanamide
CID 107482675
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylsulfanylacetamide
CID 107483088
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 107494882
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-sulfanylpropanamide
CID 107494883

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide (CID 107494898) is N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCS)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is BCMQPJOZDFGGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c8-7(9,10)5-11(2-3-12)6(13)1-4-14/h12,14H,1-5H2.
What are the key properties of N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 231.24 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-sulfanyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 107494898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).