2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline

C10H13F2NOS — CID 28573624

IUPAC2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccccc1SC(F)F
InChIInChI=1S/C10H13F2NOS/c1-14-7-6-13-8-4-2-3-5-9(8)15-10(11)12/h2-5,10,13H,6-7H2,1H3
InChIKeyCABCOHICHAKJEE-UHFFFAOYSA-N
MW233.28 g/mol
LogP3.06
Rot. Bonds6

About 2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline

2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline (PubChem CID 28573624) has the molecular formula C10H13F2NOS and a molecular weight of 233.28 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline
PubChem CID28573624
Molecular FormulaC10H13F2NOS
Molecular Weight233.28 g/mol
Exact Mass233.07
IUPAC Name2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline
SMILESCOCCNc1ccccc1SC(F)F
InChIInChI=1S/C10H13F2NOS/c1-14-7-6-13-8-4-2-3-5-9(8)15-10(11)12/h2-5,10,13H,6-7H2,1H3
InChIKeyCABCOHICHAKJEE-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-2-(methylsulfanyl)aniline
CID 12707653
N-(2-((trifluoromethyl)thio)phenyl)acetamide
CID 880895
2-(difluoromethylsulfonyl)-N-(2-methyl-2-morpholin-4-ylpropyl)aniline
CID 53542676
o-ethylmercapto-N-ethylaniline
CID 12859986
N~1~-[2-(Methylsulfanyl)phenyl]ethane-1,2-diamine
CID 53863079
4,5-Dihydro-1,5-benzothiazepine
CID 129706944
N-[2-(trifluoromethoxy)ethyl]aniline
CID 10798265
2,2,2-trifluoro-N-(2-methylsulfanylphenyl)acetamide
CID 12998769
N-propyl-4-(trifluoromethylsulfanyl)aniline
CID 43720549
2-(trifluoromethyl)-5H-1,5-benzothiazepin-2-ol
CID 85728453
2-(Trifluoromethoxy)-2,3-dihydro-1,3-benzothiazole
CID 19738242
4-methylsulfanyl-N-(2,2,2-trifluoroethyl)aniline
CID 28573156

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline (CID 28573624) is 2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline is COCCNc1ccccc1SC(F)F.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline?
The InChIKey is CABCOHICHAKJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NOS/c1-14-7-6-13-8-4-2-3-5-9(8)15-10(11)12/h2-5,10,13H,6-7H2,1H3.
What are the key properties of 2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline?
2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline has a molecular weight of 233.28 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-(2-methoxyethyl)aniline is sourced from PubChem (CID 28573624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).