N-fluoro-N-prop-1-enylsulfanylmethanamine

C4H8FNS — CID 156566341

IUPACN-fluoro-N-prop-1-enylsulfanylmethanamine
SMILESCC=CSN(C)F
InChIInChI=1S/C4H8FNS/c1-3-4-7-6(2)5/h3-4H,1-2H3
InChIKeyNRDUPDBNSIKIJU-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.98
Rot. Bonds2

About N-fluoro-N-prop-1-enylsulfanylmethanamine

N-fluoro-N-prop-1-enylsulfanylmethanamine (PubChem CID 156566341) has the molecular formula C4H8FNS and a molecular weight of 121.18 g/mol. Its IUPAC name is N-fluoro-N-prop-1-enylsulfanylmethanamine.

Molecular Properties

Compound NameN-fluoro-N-prop-1-enylsulfanylmethanamine
PubChem CID156566341
Molecular FormulaC4H8FNS
Molecular Weight121.18 g/mol
Exact Mass121.04
IUPAC NameN-fluoro-N-prop-1-enylsulfanylmethanamine
SMILESCC=CSN(C)F
InChIInChI=1S/C4H8FNS/c1-3-4-7-6(2)5/h3-4H,1-2H3
InChIKeyNRDUPDBNSIKIJU-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-prop-1-enylsulfanylmethanamine?
The IUPAC name of N-fluoro-N-prop-1-enylsulfanylmethanamine (CID 156566341) is N-fluoro-N-prop-1-enylsulfanylmethanamine.
What is the SMILES notation for N-fluoro-N-prop-1-enylsulfanylmethanamine?
The canonical SMILES for N-fluoro-N-prop-1-enylsulfanylmethanamine is CC=CSN(C)F.
What is the InChIKey of N-fluoro-N-prop-1-enylsulfanylmethanamine?
The InChIKey is NRDUPDBNSIKIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNS/c1-3-4-7-6(2)5/h3-4H,1-2H3.
What are the key properties of N-fluoro-N-prop-1-enylsulfanylmethanamine?
N-fluoro-N-prop-1-enylsulfanylmethanamine has a molecular weight of 121.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-prop-1-enylsulfanylmethanamine is sourced from PubChem (CID 156566341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).