1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one

C6H9F4NO — CID 89251928

IUPAC1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one
SMILESCNCC(F)C(F)C(=O)C(F)F
InChIInChI=1S/C6H9F4NO/c1-11-2-3(7)4(8)5(12)6(9)10/h3-4,6,11H,2H2,1H3
InChIKeyPHAKWLBKMRKBHA-UHFFFAOYSA-N
MW187.14 g/mol
LogP0.72
Rot. Bonds5

About 1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one

1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one (PubChem CID 89251928) has the molecular formula C6H9F4NO and a molecular weight of 187.14 g/mol. Its IUPAC name is 1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one.

Molecular Properties

Compound Name1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one
PubChem CID89251928
Molecular FormulaC6H9F4NO
Molecular Weight187.14 g/mol
Exact Mass187.06
IUPAC Name1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one
SMILESCNCC(F)C(F)C(=O)C(F)F
InChIInChI=1S/C6H9F4NO/c1-11-2-3(7)4(8)5(12)6(9)10/h3-4,6,11H,2H2,1H3
InChIKeyPHAKWLBKMRKBHA-UHFFFAOYSA-N
XLogP0.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.14
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one?
The IUPAC name of 1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one (CID 89251928) is 1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one.
What is the SMILES notation for 1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one?
The canonical SMILES for 1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one is CNCC(F)C(F)C(=O)C(F)F.
What is the InChIKey of 1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one?
The InChIKey is PHAKWLBKMRKBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F4NO/c1-11-2-3(7)4(8)5(12)6(9)10/h3-4,6,11H,2H2,1H3.
What are the key properties of 1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one?
1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one has a molecular weight of 187.14 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4-tetrafluoro-5-(methylamino)pentan-2-one is sourced from PubChem (CID 89251928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).