fluoro 4-(dimethylamino)-2-methylbutanoate

C7H14FNO2 — CID 142175062

IUPACfluoro 4-(dimethylamino)-2-methylbutanoate
SMILESCC(CCN(C)C)C(=O)OF
InChIInChI=1S/C7H14FNO2/c1-6(7(10)11-8)4-5-9(2)3/h6H,4-5H2,1-3H3
InChIKeyZVXLDWXVEIOOBD-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.00
Rot. Bonds4

About fluoro 4-(dimethylamino)-2-methylbutanoate

fluoro 4-(dimethylamino)-2-methylbutanoate (PubChem CID 142175062) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is fluoro 4-(dimethylamino)-2-methylbutanoate.

Molecular Properties

Compound Namefluoro 4-(dimethylamino)-2-methylbutanoate
PubChem CID142175062
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Namefluoro 4-(dimethylamino)-2-methylbutanoate
SMILESCC(CCN(C)C)C(=O)OF
InChIInChI=1S/C7H14FNO2/c1-6(7(10)11-8)4-5-9(2)3/h6H,4-5H2,1-3H3
InChIKeyZVXLDWXVEIOOBD-UHFFFAOYSA-N
XLogP1.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 4-(dimethylamino)-2-methylbutanoate?
The IUPAC name of fluoro 4-(dimethylamino)-2-methylbutanoate (CID 142175062) is fluoro 4-(dimethylamino)-2-methylbutanoate.
What is the SMILES notation for fluoro 4-(dimethylamino)-2-methylbutanoate?
The canonical SMILES for fluoro 4-(dimethylamino)-2-methylbutanoate is CC(CCN(C)C)C(=O)OF.
What is the InChIKey of fluoro 4-(dimethylamino)-2-methylbutanoate?
The InChIKey is ZVXLDWXVEIOOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-6(7(10)11-8)4-5-9(2)3/h6H,4-5H2,1-3H3.
What are the key properties of fluoro 4-(dimethylamino)-2-methylbutanoate?
fluoro 4-(dimethylamino)-2-methylbutanoate has a molecular weight of 163.19 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-(dimethylamino)-2-methylbutanoate is sourced from PubChem (CID 142175062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).