5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one

C7H11F4NO — CID 89251848

IUPAC5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one
SMILESCCNCC(F)C(F)C(=O)C(F)F
InChIInChI=1S/C7H11F4NO/c1-2-12-3-4(8)5(9)6(13)7(10)11/h4-5,7,12H,2-3H2,1H3
InChIKeyXJYUCEYHEDWYOO-UHFFFAOYSA-N
MW201.16 g/mol
LogP1.11
Rot. Bonds6

About 5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one

5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one (PubChem CID 89251848) has the molecular formula C7H11F4NO and a molecular weight of 201.16 g/mol. Its IUPAC name is 5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one.

Molecular Properties

Compound Name5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one
PubChem CID89251848
Molecular FormulaC7H11F4NO
Molecular Weight201.16 g/mol
Exact Mass201.08
IUPAC Name5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one
SMILESCCNCC(F)C(F)C(=O)C(F)F
InChIInChI=1S/C7H11F4NO/c1-2-12-3-4(8)5(9)6(13)7(10)11/h4-5,7,12H,2-3H2,1H3
InChIKeyXJYUCEYHEDWYOO-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one?
The IUPAC name of 5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one (CID 89251848) is 5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one.
What is the SMILES notation for 5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one?
The canonical SMILES for 5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one is CCNCC(F)C(F)C(=O)C(F)F.
What is the InChIKey of 5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one?
The InChIKey is XJYUCEYHEDWYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO/c1-2-12-3-4(8)5(9)6(13)7(10)11/h4-5,7,12H,2-3H2,1H3.
What are the key properties of 5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one?
5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one has a molecular weight of 201.16 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-1,1,3,4-tetrafluoropentan-2-one is sourced from PubChem (CID 89251848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).