[6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane

C10H14F2N2S — CID 90049422

IUPAC[6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane
SMILESC/N=S(\C)Cc1ccc(C(C)(F)F)nc1
InChIInChI=1S/C10H14F2N2S/c1-10(11,12)9-5-4-8(6-14-9)7-15(3)13-2/h4-6H,7H2,1-3H3
InChIKeyNFNFSQKXSQNFET-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.75
Rot. Bonds3

About [6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane

[6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane (PubChem CID 90049422) has the molecular formula C10H14F2N2S and a molecular weight of 232.30 g/mol. Its IUPAC name is [6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane.

Molecular Properties

Compound Name[6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane
PubChem CID90049422
Molecular FormulaC10H14F2N2S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name[6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane
SMILESC/N=S(\C)Cc1ccc(C(C)(F)F)nc1
InChIInChI=1S/C10H14F2N2S/c1-10(11,12)9-5-4-8(6-14-9)7-15(3)13-2/h4-6H,7H2,1-3H3
InChIKeyNFNFSQKXSQNFET-UHFFFAOYSA-N
XLogP2.75
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane?
The IUPAC name of [6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane (CID 90049422) is [6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane.
What is the SMILES notation for [6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane?
The canonical SMILES for [6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane is C/N=S(\C)Cc1ccc(C(C)(F)F)nc1.
What is the InChIKey of [6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane?
The InChIKey is NFNFSQKXSQNFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2S/c1-10(11,12)9-5-4-8(6-14-9)7-15(3)13-2/h4-6H,7H2,1-3H3.
What are the key properties of [6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane?
[6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane has a molecular weight of 232.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1,1-difluoroethyl)-3-pyridinyl]methyl-methyl-methylimino-λ4-sulfane is sourced from PubChem (CID 90049422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).