N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine

C10H10F4N2S2 — CID 113254725

IUPACN-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine
SMILESFc1nc(F)c(F)c(NCC2CSCCS2)c1F
InChIInChI=1S/C10H10F4N2S2/c11-6-8(7(12)10(14)16-9(6)13)15-3-5-4-17-1-2-18-5/h5H,1-4H2,(H,15,16)
InChIKeyWGTJDQDNWYZAQF-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.90
Rot. Bonds3

About N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine

N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 113254725) has the molecular formula C10H10F4N2S2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID113254725
Molecular FormulaC10H10F4N2S2
Molecular Weight298.33 g/mol
Exact Mass298.02
IUPAC NameN-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine
SMILESFc1nc(F)c(F)c(NCC2CSCCS2)c1F
InChIInChI=1S/C10H10F4N2S2/c11-6-8(7(12)10(14)16-9(6)13)15-3-5-4-17-1-2-18-5/h5H,1-4H2,(H,15,16)
InChIKeyWGTJDQDNWYZAQF-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine (CID 113254725) is N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine is Fc1nc(F)c(F)c(NCC2CSCCS2)c1F.
What is the InChIKey of N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is WGTJDQDNWYZAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2S2/c11-6-8(7(12)10(14)16-9(6)13)15-3-5-4-17-1-2-18-5/h5H,1-4H2,(H,15,16).
What are the key properties of N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine?
N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 298.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dithian-2-ylmethyl)-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 113254725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).