2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol

C8H18FNOS — CID 87331184

IUPAC2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol
SMILESCCCC(F)CSCC(N)CO
InChIInChI=1S/C8H18FNOS/c1-2-3-7(9)5-12-6-8(10)4-11/h7-8,11H,2-6,10H2,1H3
InChIKeyWZGICZMOKBCRSG-UHFFFAOYSA-N
MW195.30 g/mol
LogP1.18
Rot. Bonds7

About 2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol

2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol (PubChem CID 87331184) has the molecular formula C8H18FNOS and a molecular weight of 195.30 g/mol. Its IUPAC name is 2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol
PubChem CID87331184
Molecular FormulaC8H18FNOS
Molecular Weight195.30 g/mol
Exact Mass195.11
IUPAC Name2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol
SMILESCCCC(F)CSCC(N)CO
InChIInChI=1S/C8H18FNOS/c1-2-3-7(9)5-12-6-8(10)4-11/h7-8,11H,2-6,10H2,1H3
InChIKeyWZGICZMOKBCRSG-UHFFFAOYSA-N
XLogP1.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol?
The IUPAC name of 2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol (CID 87331184) is 2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol is CCCC(F)CSCC(N)CO.
What is the InChIKey of 2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol?
The InChIKey is WZGICZMOKBCRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNOS/c1-2-3-7(9)5-12-6-8(10)4-11/h7-8,11H,2-6,10H2,1H3.
What are the key properties of 2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol?
2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol has a molecular weight of 195.30 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-fluoropentylsulfanyl)propan-1-ol is sourced from PubChem (CID 87331184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).