N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine

C7H4F6N2S2 — CID 155068914

IUPACN,N-bis(trifluoromethylsulfanyl)pyridin-2-amine
SMILESFC(F)(F)SN(SC(F)(F)F)c1ccccn1
InChIInChI=1S/C7H4F6N2S2/c8-6(9,10)16-15(17-7(11,12)13)5-3-1-2-4-14-5/h1-4H
InChIKeyQXDDGZOTGPHPMP-UHFFFAOYSA-N
MW294.25 g/mol
LogP4.22
Rot. Bonds3

About N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine

N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine (PubChem CID 155068914) has the molecular formula C7H4F6N2S2 and a molecular weight of 294.25 g/mol. Its IUPAC name is N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-bis(trifluoromethylsulfanyl)pyridin-2-amine
PubChem CID155068914
Molecular FormulaC7H4F6N2S2
Molecular Weight294.25 g/mol
Exact Mass293.97
IUPAC NameN,N-bis(trifluoromethylsulfanyl)pyridin-2-amine
SMILESFC(F)(F)SN(SC(F)(F)F)c1ccccn1
InChIInChI=1S/C7H4F6N2S2/c8-6(9,10)16-15(17-7(11,12)13)5-3-1-2-4-14-5/h1-4H
InChIKeyQXDDGZOTGPHPMP-UHFFFAOYSA-N
XLogP4.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine?
The IUPAC name of N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine (CID 155068914) is N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine.
What is the SMILES notation for N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine?
The canonical SMILES for N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine is FC(F)(F)SN(SC(F)(F)F)c1ccccn1.
What is the InChIKey of N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine?
The InChIKey is QXDDGZOTGPHPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6N2S2/c8-6(9,10)16-15(17-7(11,12)13)5-3-1-2-4-14-5/h1-4H.
What are the key properties of N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine?
N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine has a molecular weight of 294.25 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(trifluoromethylsulfanyl)pyridin-2-amine is sourced from PubChem (CID 155068914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).