N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine

C4H11FNOPS — CID 88667517

IUPACN-[fluoro(hydroxy)phosphinothioyl]butan-2-amine
SMILESCCC(C)NP(O)(F)=S
InChIInChI=1S/C4H11FNOPS/c1-3-4(2)6-8(5,7)9/h4H,3H2,1-2H3,(H2,6,7,9)
InChIKeyNPDRJPDNWBRUPT-UHFFFAOYSA-N
MW171.18 g/mol
LogP1.56
Rot. Bonds3

About N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine

N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine (PubChem CID 88667517) has the molecular formula C4H11FNOPS and a molecular weight of 171.18 g/mol. Its IUPAC name is N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine.

Molecular Properties

Compound NameN-[fluoro(hydroxy)phosphinothioyl]butan-2-amine
PubChem CID88667517
Molecular FormulaC4H11FNOPS
Molecular Weight171.18 g/mol
Exact Mass171.03
IUPAC NameN-[fluoro(hydroxy)phosphinothioyl]butan-2-amine
SMILESCCC(C)NP(O)(F)=S
InChIInChI=1S/C4H11FNOPS/c1-3-4(2)6-8(5,7)9/h4H,3H2,1-2H3,(H2,6,7,9)
InChIKeyNPDRJPDNWBRUPT-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine?
The IUPAC name of N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine (CID 88667517) is N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine.
What is the SMILES notation for N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine?
The canonical SMILES for N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine is CCC(C)NP(O)(F)=S.
What is the InChIKey of N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine?
The InChIKey is NPDRJPDNWBRUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11FNOPS/c1-3-4(2)6-8(5,7)9/h4H,3H2,1-2H3,(H2,6,7,9).
What are the key properties of N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine?
N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine has a molecular weight of 171.18 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[fluoro(hydroxy)phosphinothioyl]butan-2-amine is sourced from PubChem (CID 88667517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).