3,3-difluoro-4-methyl-2H-azete

C4H5F2N — CID 89294454

IUPAC3,3-difluoro-4-methyl-2H-azete
SMILESCC1=NCC1(F)F
InChIInChI=1S/C4H5F2N/c1-3-4(5,6)2-7-3/h2H2,1H3
InChIKeyGGTDGJHQJCHRRN-UHFFFAOYSA-N
MW105.09 g/mol
LogP1.10
Rot. Bonds

About 3,3-difluoro-4-methyl-2H-azete

3,3-difluoro-4-methyl-2H-azete (PubChem CID 89294454) has the molecular formula C4H5F2N and a molecular weight of 105.09 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-2H-azete.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-2H-azete
PubChem CID89294454
Molecular FormulaC4H5F2N
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC Name3,3-difluoro-4-methyl-2H-azete
SMILESCC1=NCC1(F)F
InChIInChI=1S/C4H5F2N/c1-3-4(5,6)2-7-3/h2H2,1H3
InChIKeyGGTDGJHQJCHRRN-UHFFFAOYSA-N
XLogP1.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-2H-azete?
The IUPAC name of 3,3-difluoro-4-methyl-2H-azete (CID 89294454) is 3,3-difluoro-4-methyl-2H-azete.
What is the SMILES notation for 3,3-difluoro-4-methyl-2H-azete?
The canonical SMILES for 3,3-difluoro-4-methyl-2H-azete is CC1=NCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-methyl-2H-azete?
The InChIKey is GGTDGJHQJCHRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N/c1-3-4(5,6)2-7-3/h2H2,1H3.
What are the key properties of 3,3-difluoro-4-methyl-2H-azete?
3,3-difluoro-4-methyl-2H-azete has a molecular weight of 105.09 g/mol, XLogP of 1.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-2H-azete is sourced from PubChem (CID 89294454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).