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

C5H12FNS — CID 80698286

IUPAC1-(2-fluoroethylsulfanyl)propan-2-amine
SMILESCC(N)CSCCF
InChIInChI=1S/C5H12FNS/c1-5(7)4-8-3-2-6/h5H,2-4,7H2,1H3
InChIKeyFCHOWNGMAYMZFN-UHFFFAOYSA-N
MW137.22 g/mol
LogP1.04
Rot. Bonds4

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

1-(2-fluoroethylsulfanyl)propan-2-amine (PubChem CID 80698286) has the molecular formula C5H12FNS and a molecular weight of 137.22 g/mol. Its IUPAC name is 1-(2-fluoroethylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluoroethylsulfanyl)propan-2-amine
PubChem CID80698286
Molecular FormulaC5H12FNS
Molecular Weight137.22 g/mol
Exact Mass137.07
IUPAC Name1-(2-fluoroethylsulfanyl)propan-2-amine
SMILESCC(N)CSCCF
InChIInChI=1S/C5H12FNS/c1-5(7)4-8-3-2-6/h5H,2-4,7H2,1H3
InChIKeyFCHOWNGMAYMZFN-UHFFFAOYSA-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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Related Compounds

1-(Methylsulfanyl)propan-2-amine
CID 12097392
3-(Ethylsulfanyl)propan-1-amine
CID 21485330
4-(Methylsulfanyl)butan-2-amine
CID 22979404
(2R)-1-(methylsulfanyl)propan-2-amine hydrochloride
CID 89928391
4-(Ethylsulfanyl)butan-2-amine
CID 23551742
(2R)-1-((difluoromethyl)sulfanyl)propan-2-amine hydrochloride
CID 165891945
(S)-1-(methylthio)propan-2-amine
CID 20698872
1,1-Difluoro-4-(methylsulfanyl)butan-2-amine
CID 54203291
2-Methylthiolan-3-amine
CID 55284309
3-(4-Fluorobutylsulfanyl)propan-1-amine
CID 58684187
2-(4-Fluorobutylsulfanyl)ethanamine
CID 58684249
3-(3-Fluoropropylsulfanyl)propan-1-amine
CID 58684369

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethylsulfanyl)propan-2-amine?
The IUPAC name of 1-(2-fluoroethylsulfanyl)propan-2-amine (CID 80698286) is 1-(2-fluoroethylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(2-fluoroethylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(2-fluoroethylsulfanyl)propan-2-amine is CC(N)CSCCF.
What is the InChIKey of 1-(2-fluoroethylsulfanyl)propan-2-amine?
The InChIKey is FCHOWNGMAYMZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNS/c1-5(7)4-8-3-2-6/h5H,2-4,7H2,1H3.
What are the key properties of 1-(2-fluoroethylsulfanyl)propan-2-amine?
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 1-(2-fluoroethylsulfanyl)propan-2-amine is sourced from PubChem (CID 80698286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).