1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate

C10H18FNO2 — CID 87764825

IUPAC1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)NC(F)CCC
InChIInChI=1S/C10H18FNO2/c1-5-6-9(11)12-8(4)14-10(13)7(2)3/h8-9,12H,2,5-6H2,1,3-4H3
InChIKeyHXCVRFCJLXCOAU-UHFFFAOYSA-N
MW203.26 g/mol
LogP2.14
Rot. Bonds6

About 1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate

1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate (PubChem CID 87764825) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate
PubChem CID87764825
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)NC(F)CCC
InChIInChI=1S/C10H18FNO2/c1-5-6-9(11)12-8(4)14-10(13)7(2)3/h8-9,12H,2,5-6H2,1,3-4H3
InChIKeyHXCVRFCJLXCOAU-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate (CID 87764825) is 1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)NC(F)CCC.
What is the InChIKey of 1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is HXCVRFCJLXCOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-5-6-9(11)12-8(4)14-10(13)7(2)3/h8-9,12H,2,5-6H2,1,3-4H3.
What are the key properties of 1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate?
1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 203.26 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluorobutylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 87764825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).