2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate

C12H24FNO2 — CID 163227519

IUPAC2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate
SMILESCCCC(=O)OCCN(CC(C)F)C(C)C
InChIInChI=1S/C12H24FNO2/c1-5-6-12(15)16-8-7-14(10(2)3)9-11(4)13/h10-11H,5-9H2,1-4H3
InChIKeyDVWRXQFSOCXFSE-UHFFFAOYSA-N
MW233.33 g/mol
LogP2.40
Rot. Bonds8

About 2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate

2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate (PubChem CID 163227519) has the molecular formula C12H24FNO2 and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate.

Molecular Properties

Compound Name2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate
PubChem CID163227519
Molecular FormulaC12H24FNO2
Molecular Weight233.33 g/mol
Exact Mass233.18
IUPAC Name2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate
SMILESCCCC(=O)OCCN(CC(C)F)C(C)C
InChIInChI=1S/C12H24FNO2/c1-5-6-12(15)16-8-7-14(10(2)3)9-11(4)13/h10-11H,5-9H2,1-4H3
InChIKeyDVWRXQFSOCXFSE-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate?
The IUPAC name of 2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate (CID 163227519) is 2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate.
What is the SMILES notation for 2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate?
The canonical SMILES for 2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate is CCCC(=O)OCCN(CC(C)F)C(C)C.
What is the InChIKey of 2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate?
The InChIKey is DVWRXQFSOCXFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2/c1-5-6-12(15)16-8-7-14(10(2)3)9-11(4)13/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate?
2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate has a molecular weight of 233.33 g/mol, XLogP of 2.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoropropyl(propan-2-yl)amino]ethyl butanoate is sourced from PubChem (CID 163227519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).