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

C8H15F4NS — CID 103529290

IUPACN-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCSCCCNCC(F)(F)C(F)F
InChIInChI=1S/C8H15F4NS/c1-2-14-5-3-4-13-6-8(11,12)7(9)10/h7,13H,2-6H2,1H3
InChIKeySTOLAJPCWKBMTD-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.62
Rot. Bonds8

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

N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 103529290) has the molecular formula C8H15F4NS and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID103529290
Molecular FormulaC8H15F4NS
Molecular Weight233.27 g/mol
Exact Mass233.09
IUPAC NameN-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine
SMILESCCSCCCNCC(F)(F)C(F)F
InChIInChI=1S/C8H15F4NS/c1-2-14-5-3-4-13-6-8(11,12)7(9)10/h7,13H,2-6H2,1H3
InChIKeySTOLAJPCWKBMTD-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.62
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-(2-ethylsulfanylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 103529596
N-(2,2,3,3-tetrafluoropropyl)decan-1-amine
CID 106289504
2-(chloromethyl)-2-ethyl-N-(3-ethylsulfanylpropyl)butan-1-amine
CID 106252654
N-(2-ethylsulfonylethyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 106292109
N-(3-ethylsulfanylpropyl)-2-methyl-2-phenylpropan-1-amine
CID 113373332
2-ethyl-N-(2,2,3,3-tetrafluoropropyl)butan-1-amine
CID 103529398
N-(3-ethylsulfanylpropyl)-2,2,2-trifluoroacetamide
CID 130165694
3-ethenoxy-N-(3-ethylsulfanylpropyl)propan-1-amine
CID 116503669
N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine
CID 115666824
1-butyl-3-(2,2,3,3-tetrafluoropropyl)thiourea
CID 103520301
3,3,4,4-tetrafluoro-N-(3,3,4,4-tetrafluorobutyl)butan-1-amine
CID 172565161
CID 172565067
CID 172565067

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine (CID 103529290) is N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine is CCSCCCNCC(F)(F)C(F)F.
What is the InChIKey of N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is STOLAJPCWKBMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F4NS/c1-2-14-5-3-4-13-6-8(11,12)7(9)10/h7,13H,2-6H2,1H3.
What are the key properties of N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine?
N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 233.27 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylpropyl)-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 103529290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).