4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine

C9H16FNS — CID 143343262

IUPAC4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine
SMILESC=CSC(=C(C)C)C(CC)NF
InChIInChI=1S/C9H16FNS/c1-5-8(11-10)9(7(3)4)12-6-2/h6,8,11H,2,5H2,1,3-4H3
InChIKeyQFSHBTFHPSQYBA-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.41
Rot. Bonds5

About 4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine

4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine (PubChem CID 143343262) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine.

Molecular Properties

Compound Name4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine
PubChem CID143343262
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC Name4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine
SMILESC=CSC(=C(C)C)C(CC)NF
InChIInChI=1S/C9H16FNS/c1-5-8(11-10)9(7(3)4)12-6-2/h6,8,11H,2,5H2,1,3-4H3
InChIKeyQFSHBTFHPSQYBA-UHFFFAOYSA-N
XLogP3.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine?
The IUPAC name of 4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine (CID 143343262) is 4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine.
What is the SMILES notation for 4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine?
The canonical SMILES for 4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine is C=CSC(=C(C)C)C(CC)NF.
What is the InChIKey of 4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine?
The InChIKey is QFSHBTFHPSQYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNS/c1-5-8(11-10)9(7(3)4)12-6-2/h6,8,11H,2,5H2,1,3-4H3.
What are the key properties of 4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine?
4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine has a molecular weight of 189.30 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenylsulfanyl-N-fluoro-5-methylhex-4-en-3-amine is sourced from PubChem (CID 143343262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).