N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine

C7H13F4NS — CID 103529596

IUPACN-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCSCCNCC(F)(F)C(F)F
InChIInChI=1S/C7H13F4NS/c1-2-13-4-3-12-5-7(10,11)6(8)9/h6,12H,2-5H2,1H3
InChIKeyGEBYFLYOENBUQW-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.23
Rot. Bonds7

About N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine

N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 103529596) has the molecular formula C7H13F4NS and a molecular weight of 219.25 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID103529596
Molecular FormulaC7H13F4NS
Molecular Weight219.25 g/mol
Exact Mass219.07
IUPAC NameN-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCSCCNCC(F)(F)C(F)F
InChIInChI=1S/C7H13F4NS/c1-2-13-4-3-12-5-7(10,11)6(8)9/h6,12H,2-5H2,1H3
InChIKeyGEBYFLYOENBUQW-UHFFFAOYSA-N
XLogP2.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529290
N-(2,2,3,3-tetrafluoropropyl)decan-1-amine
CID 106289504
N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 106292109
chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
CID 139119576
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
CID 103529398
2,2,2-trifluoro-N-[2-(3-methylbutylsulfanyl)ethyl]ethanamine
CID 107757717
2-ethylsulfanyl-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 104668793
3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine
CID 172565161
N-(2,2,3,3-tetrafluoropropyl)but-2-yn-1-amine
CID 106292221
1-(2-ethylsulfanylethoxy)-1,1,2,2-tetrafluoroethane
CID 139683206
N'-(2-ethylsulfanylethyl)ethane-1,2-diamine;dihydrochloride
CID 45261849
3-methyl-1-N-(2,2,3,3-tetrafluoropropyl)pentane-1,2-diamine
CID 106293632

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine (CID 103529596) is N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine is CCSCCNCC(F)(F)C(F)F.
What is the InChIKey of N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is GEBYFLYOENBUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F4NS/c1-2-13-4-3-12-5-7(10,11)6(8)9/h6,12H,2-5H2,1H3.
What are the key properties of N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine?
N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 219.25 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 103529596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).