2-fluoroethyl 4-(methylamino)pentanoate

C8H16FNO2 — CID 167086153

IUPAC2-fluoroethyl 4-(methylamino)pentanoate
SMILESCNC(C)CCC(=O)OCCF
InChIInChI=1S/C8H16FNO2/c1-7(10-2)3-4-8(11)12-6-5-9/h7,10H,3-6H2,1-2H3
InChIKeyDDFASGWGZLXBQQ-UHFFFAOYSA-N
MW177.22 g/mol
LogP0.89
Rot. Bonds6

About 2-fluoroethyl 4-(methylamino)pentanoate

2-fluoroethyl 4-(methylamino)pentanoate (PubChem CID 167086153) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-fluoroethyl 4-(methylamino)pentanoate.

Molecular Properties

Compound Name2-fluoroethyl 4-(methylamino)pentanoate
PubChem CID167086153
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name2-fluoroethyl 4-(methylamino)pentanoate
SMILESCNC(C)CCC(=O)OCCF
InChIInChI=1S/C8H16FNO2/c1-7(10-2)3-4-8(11)12-6-5-9/h7,10H,3-6H2,1-2H3
InChIKeyDDFASGWGZLXBQQ-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl 4-(methylamino)pentanoate?
The IUPAC name of 2-fluoroethyl 4-(methylamino)pentanoate (CID 167086153) is 2-fluoroethyl 4-(methylamino)pentanoate.
What is the SMILES notation for 2-fluoroethyl 4-(methylamino)pentanoate?
The canonical SMILES for 2-fluoroethyl 4-(methylamino)pentanoate is CNC(C)CCC(=O)OCCF.
What is the InChIKey of 2-fluoroethyl 4-(methylamino)pentanoate?
The InChIKey is DDFASGWGZLXBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-7(10-2)3-4-8(11)12-6-5-9/h7,10H,3-6H2,1-2H3.
What are the key properties of 2-fluoroethyl 4-(methylamino)pentanoate?
2-fluoroethyl 4-(methylamino)pentanoate has a molecular weight of 177.22 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 4-(methylamino)pentanoate is sourced from PubChem (CID 167086153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).