2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine

C8H10F9NS — CID 87277641

IUPAC2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine
SMILESNCCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F9NS/c9-5(10,1-3-19-4-2-18)6(11,12)7(13,14)8(15,16)17/h1-4,18H2
InChIKeyVIMITXPSSULABI-UHFFFAOYSA-N
MW323.22 g/mol
LogP3.54
Rot. Bonds7

About 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine

2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine (PubChem CID 87277641) has the molecular formula C8H10F9NS and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine.

Molecular Properties

Compound Name2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine
PubChem CID87277641
Molecular FormulaC8H10F9NS
Molecular Weight323.22 g/mol
Exact Mass323.04
IUPAC Name2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine
SMILESNCCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F9NS/c9-5(10,1-3-19-4-2-18)6(11,12)7(13,14)8(15,16)17/h1-4,18H2
InChIKeyVIMITXPSSULABI-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 53.54
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'}

Analyze 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine with MolForge

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Launch Full Analysis

Related Compounds

C6F13C2H4Sch2CH2NH2
CID 85791447
2-((3,3,3-Trifluoropropyl)sulfanyl)ethan-1-amine
CID 58684527
3-(4,4,5,5,5-Pentafluoropentylsulfanyl)propan-1-amine
CID 15485804
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Henicosafluorodecylsulfanyl)ethanamine
CID 23324458
2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecylsulfanyl)ethanamine
CID 54419277
3-(4,4,5,5,5-Pentafluoropentylsulfanyl)butan-1-amine
CID 57306823
3-(3,3,3-Trifluoropropylsulfanyl)propan-1-amine
CID 58684114
3-(4,4,4-Trifluorobutylsulfanyl)propan-1-amine
CID 58684226
2-(4,4,4-Trifluorobutylsulfanyl)ethanamine
CID 58684267
3-[(2,2,2-Trifluoroethyl)sulfanyl]propan-1-amine
CID 58684509
3-(2,2-Difluoroethylsulfanyl)propan-1-amine
CID 58684872
3-Trifluoromethylsulfanyl-propylamine
CID 66219539

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine?
The IUPAC name of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine (CID 87277641) is 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine.
What is the SMILES notation for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine?
The canonical SMILES for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine is NCCSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine?
The InChIKey is VIMITXPSSULABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F9NS/c9-5(10,1-3-19-4-2-18)6(11,12)7(13,14)8(15,16)17/h1-4,18H2.
What are the key properties of 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine?
2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine has a molecular weight of 323.22 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4,4,5,5,6,6,6-nonafluorohexylsulfanyl)ethanamine is sourced from PubChem (CID 87277641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).