difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane

C9H12F2N2OS — CID 176666964

IUPACdifluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane
SMILES[H]N=S(=O)(c1ccnc(C(C)C)c1)C(F)F
InChIInChI=1S/C9H12F2N2OS/c1-6(2)8-5-7(3-4-13-8)15(12,14)9(10)11/h3-6,9,12H,1-2H3
InChIKeyUVMFJQUGGOPEHO-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.83
Rot. Bonds3

About difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane

difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane (PubChem CID 176666964) has the molecular formula C9H12F2N2OS and a molecular weight of 234.27 g/mol. Its IUPAC name is difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane.

Molecular Properties

Compound Namedifluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane
PubChem CID176666964
Molecular FormulaC9H12F2N2OS
Molecular Weight234.27 g/mol
Exact Mass234.06
IUPAC Namedifluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane
SMILES[H]N=S(=O)(c1ccnc(C(C)C)c1)C(F)F
InChIInChI=1S/C9H12F2N2OS/c1-6(2)8-5-7(3-4-13-8)15(12,14)9(10)11/h3-6,9,12H,1-2H3
InChIKeyUVMFJQUGGOPEHO-UHFFFAOYSA-N
XLogP2.83
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-propan-2-ylpyridine;methane
CID 162074293
N,N-bis[(4-methoxyphenyl)methyl]-2-propan-2-ylpyridine-4-sulfonamide
CID 155068946
2-propan-2-yl-4-[5-(2-propan-2-yl-4-pyridinyl)hexan-2-yl]pyridine
CID 135215939
2-propan-2-ylpyridine-4-carboxamide
CID 53424773
4-phenyl-2-propan-2-ylpyridine
CID 59796805
(1R)-1-pyridin-2-ylethanesulfonamide
CID 94347246
ethane;4-phenyl-2-propan-2-ylpyridine
CID 170732086
2-propan-2-yl-4-[5-(5-propan-2-yl-3-pyridinyl)hexan-2-yl]pyridine
CID 155097626
2-[methyl-(2-propan-2-yl-4-pyridinyl)amino]acetic acid
CID 83834123
1-N-methyl-1-N-(2-propan-2-yl-4-pyridinyl)propane-1,2-diamine
CID 112710084
2,4-di(propan-2-yl)pyrimidine;4,6-di(propan-2-yl)pyrimidine
CID 158889204
4-propan-2-yl-6-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]pyrimidine
CID 130227799

Frequently Asked Questions

What is the IUPAC name of difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane?
The IUPAC name of difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane (CID 176666964) is difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane.
What is the SMILES notation for difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane?
The canonical SMILES for difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane is [H]N=S(=O)(c1ccnc(C(C)C)c1)C(F)F.
What is the InChIKey of difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane?
The InChIKey is UVMFJQUGGOPEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2OS/c1-6(2)8-5-7(3-4-13-8)15(12,14)9(10)11/h3-6,9,12H,1-2H3.
What are the key properties of difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane?
difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane has a molecular weight of 234.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl-imino-oxo-(2-propan-2-yl-4-pyridinyl)-λ6-sulfane is sourced from PubChem (CID 176666964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).