(1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium

C10H21FNO2+ — CID 59718809

IUPAC(1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium
SMILESCCOC(=O)CCC([NH3+])CC(C)(C)F
InChIInChI=1S/C10H20FNO2/c1-4-14-9(13)6-5-8(12)7-10(2,3)11/h8H,4-7,12H2,1-3H3/p+1
InChIKeyUENUCOAAJQHNHN-UHFFFAOYSA-O
MW206.28 g/mol
LogP1.08
Rot. Bonds6

About (1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium

(1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium (PubChem CID 59718809) has the molecular formula C10H21FNO2+ and a molecular weight of 206.28 g/mol. Its IUPAC name is (1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium.

Molecular Properties

Compound Name(1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium
PubChem CID59718809
Molecular FormulaC10H21FNO2+
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name(1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium
SMILESCCOC(=O)CCC([NH3+])CC(C)(C)F
InChIInChI=1S/C10H20FNO2/c1-4-14-9(13)6-5-8(12)7-10(2,3)11/h8H,4-7,12H2,1-3H3/p+1
InChIKeyUENUCOAAJQHNHN-UHFFFAOYSA-O
XLogP1.08
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium?
The IUPAC name of (1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium (CID 59718809) is (1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium.
What is the SMILES notation for (1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium?
The canonical SMILES for (1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium is CCOC(=O)CCC([NH3+])CC(C)(C)F.
What is the InChIKey of (1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium?
The InChIKey is UENUCOAAJQHNHN-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H20FNO2/c1-4-14-9(13)6-5-8(12)7-10(2,3)11/h8H,4-7,12H2,1-3H3/p+1.
What are the key properties of (1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium?
(1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium has a molecular weight of 206.28 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-6-fluoro-6-methyl-1-oxoheptan-4-yl)azanium is sourced from PubChem (CID 59718809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).