(2R)-1-(2-fluoroethylsulfanyl)propan-2-amine

C5H12FNS — CID 130236314

IUPAC(2R)-1-(2-fluoroethylsulfanyl)propan-2-amine
SMILESC[C@@H](N)CSCCF
InChIInChI=1S/C5H12FNS/c1-5(7)4-8-3-2-6/h5H,2-4,7H2,1H3/t5-/m1/s1
InChIKeyFCHOWNGMAYMZFN-RXMQYKEDSA-N
MW137.22 g/mol
LogP1.04
Rot. Bonds4

About (2R)-1-(2-fluoroethylsulfanyl)propan-2-amine

(2R)-1-(2-fluoroethylsulfanyl)propan-2-amine (PubChem CID 130236314) has the molecular formula C5H12FNS and a molecular weight of 137.22 g/mol. Its IUPAC name is (2R)-1-(2-fluoroethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(2-fluoroethylsulfanyl)propan-2-amine
PubChem CID130236314
Molecular FormulaC5H12FNS
Molecular Weight137.22 g/mol
Exact Mass137.07
IUPAC Name(2R)-1-(2-fluoroethylsulfanyl)propan-2-amine
SMILESC[C@@H](N)CSCCF
InChIInChI=1S/C5H12FNS/c1-5(7)4-8-3-2-6/h5H,2-4,7H2,1H3/t5-/m1/s1
InChIKeyFCHOWNGMAYMZFN-RXMQYKEDSA-N
XLogP1.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.22
LogP ≤ 51.04
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 (2R)-1-(2-fluoroethylsulfanyl)propan-2-amine?
The IUPAC name of (2R)-1-(2-fluoroethylsulfanyl)propan-2-amine (CID 130236314) is (2R)-1-(2-fluoroethylsulfanyl)propan-2-amine.
What is the SMILES notation for (2R)-1-(2-fluoroethylsulfanyl)propan-2-amine?
The canonical SMILES for (2R)-1-(2-fluoroethylsulfanyl)propan-2-amine is C[C@@H](N)CSCCF.
What is the InChIKey of (2R)-1-(2-fluoroethylsulfanyl)propan-2-amine?
The InChIKey is FCHOWNGMAYMZFN-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12FNS/c1-5(7)4-8-3-2-6/h5H,2-4,7H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-1-(2-fluoroethylsulfanyl)propan-2-amine?
(2R)-1-(2-fluoroethylsulfanyl)propan-2-amine has a molecular weight of 137.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-fluoroethylsulfanyl)propan-2-amine is sourced from PubChem (CID 130236314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).