4-(2-fluoroethylsulfanyl)butan-2-amine

C6H14FNS — CID 80698287

IUPAC4-(2-fluoroethylsulfanyl)butan-2-amine
SMILESCC(N)CCSCCF
InChIInChI=1S/C6H14FNS/c1-6(8)2-4-9-5-3-7/h6H,2-5,8H2,1H3
InChIKeySFEDJMZCUKPJBO-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.43
Rot. Bonds5

About 4-(2-fluoroethylsulfanyl)butan-2-amine

4-(2-fluoroethylsulfanyl)butan-2-amine (PubChem CID 80698287) has the molecular formula C6H14FNS and a molecular weight of 151.25 g/mol. Its IUPAC name is 4-(2-fluoroethylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name4-(2-fluoroethylsulfanyl)butan-2-amine
PubChem CID80698287
Molecular FormulaC6H14FNS
Molecular Weight151.25 g/mol
Exact Mass151.08
IUPAC Name4-(2-fluoroethylsulfanyl)butan-2-amine
SMILESCC(N)CCSCCF
InChIInChI=1S/C6H14FNS/c1-6(8)2-4-9-5-3-7/h6H,2-5,8H2,1H3
InChIKeySFEDJMZCUKPJBO-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylsulfanyl)butan-2-amine?
The IUPAC name of 4-(2-fluoroethylsulfanyl)butan-2-amine (CID 80698287) is 4-(2-fluoroethylsulfanyl)butan-2-amine.
What is the SMILES notation for 4-(2-fluoroethylsulfanyl)butan-2-amine?
The canonical SMILES for 4-(2-fluoroethylsulfanyl)butan-2-amine is CC(N)CCSCCF.
What is the InChIKey of 4-(2-fluoroethylsulfanyl)butan-2-amine?
The InChIKey is SFEDJMZCUKPJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNS/c1-6(8)2-4-9-5-3-7/h6H,2-5,8H2,1H3.
What are the key properties of 4-(2-fluoroethylsulfanyl)butan-2-amine?
4-(2-fluoroethylsulfanyl)butan-2-amine has a molecular weight of 151.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylsulfanyl)butan-2-amine is sourced from PubChem (CID 80698287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).