difluoro-methyl-quinazolin-8-yl-λ4-sulfane

C9H8F2N2S — CID 170784627

IUPACdifluoro-methyl-quinazolin-8-yl-λ4-sulfane
SMILESCS(F)(F)c1cccc2cncnc12
InChIInChI=1S/C9H8F2N2S/c1-14(10,11)8-4-2-3-7-5-12-6-13-9(7)8/h2-6H,1H3
InChIKeyCZFFCTANBLABRX-UHFFFAOYSA-N
MW214.24 g/mol
LogP3.19
Rot. Bonds1

About difluoro-methyl-quinazolin-8-yl-λ4-sulfane

difluoro-methyl-quinazolin-8-yl-λ4-sulfane (PubChem CID 170784627) has the molecular formula C9H8F2N2S and a molecular weight of 214.24 g/mol. Its IUPAC name is difluoro-methyl-quinazolin-8-yl-λ4-sulfane.

Molecular Properties

Compound Namedifluoro-methyl-quinazolin-8-yl-λ4-sulfane
PubChem CID170784627
Molecular FormulaC9H8F2N2S
Molecular Weight214.24 g/mol
Exact Mass214.04
IUPAC Namedifluoro-methyl-quinazolin-8-yl-λ4-sulfane
SMILESCS(F)(F)c1cccc2cncnc12
InChIInChI=1S/C9H8F2N2S/c1-14(10,11)8-4-2-3-7-5-12-6-13-9(7)8/h2-6H,1H3
InChIKeyCZFFCTANBLABRX-UHFFFAOYSA-N
XLogP3.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of difluoro-methyl-quinazolin-8-yl-λ4-sulfane?
The IUPAC name of difluoro-methyl-quinazolin-8-yl-λ4-sulfane (CID 170784627) is difluoro-methyl-quinazolin-8-yl-λ4-sulfane.
What is the SMILES notation for difluoro-methyl-quinazolin-8-yl-λ4-sulfane?
The canonical SMILES for difluoro-methyl-quinazolin-8-yl-λ4-sulfane is CS(F)(F)c1cccc2cncnc12.
What is the InChIKey of difluoro-methyl-quinazolin-8-yl-λ4-sulfane?
The InChIKey is CZFFCTANBLABRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2S/c1-14(10,11)8-4-2-3-7-5-12-6-13-9(7)8/h2-6H,1H3.
What are the key properties of difluoro-methyl-quinazolin-8-yl-λ4-sulfane?
difluoro-methyl-quinazolin-8-yl-λ4-sulfane has a molecular weight of 214.24 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-methyl-quinazolin-8-yl-λ4-sulfane is sourced from PubChem (CID 170784627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).