(Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate

C10H15F3NO2- — CID 18465959

IUPAC(Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate
SMILESCC(F)C(/C(N)=C/C(=O)[O-])(C(C)F)C(C)F
InChIInChI=1S/C10H16F3NO2/c1-5(11)10(6(2)12,7(3)13)8(14)4-9(15)16/h4-7H,14H2,1-3H3,(H,15,16)/p-1/b8-4-
InChIKeyZBSLPTGNJQGHBU-YWEYNIOJSA-M
MW238.23 g/mol
LogP0.64
Rot. Bonds5

About (Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate

(Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate (PubChem CID 18465959) has the molecular formula C10H15F3NO2- and a molecular weight of 238.23 g/mol. Its IUPAC name is (Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate.

Molecular Properties

Compound Name(Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate
PubChem CID18465959
Molecular FormulaC10H15F3NO2-
Molecular Weight238.23 g/mol
Exact Mass238.11
IUPAC Name(Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate
SMILESCC(F)C(/C(N)=C/C(=O)[O-])(C(C)F)C(C)F
InChIInChI=1S/C10H16F3NO2/c1-5(11)10(6(2)12,7(3)13)8(14)4-9(15)16/h4-7H,14H2,1-3H3,(H,15,16)/p-1/b8-4-
InChIKeyZBSLPTGNJQGHBU-YWEYNIOJSA-M
XLogP0.64
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate?
The IUPAC name of (Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate (CID 18465959) is (Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate.
What is the SMILES notation for (Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate?
The canonical SMILES for (Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate is CC(F)C(/C(N)=C/C(=O)[O-])(C(C)F)C(C)F.
What is the InChIKey of (Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate?
The InChIKey is ZBSLPTGNJQGHBU-YWEYNIOJSA-M. The full InChI is InChI=1S/C10H16F3NO2/c1-5(11)10(6(2)12,7(3)13)8(14)4-9(15)16/h4-7H,14H2,1-3H3,(H,15,16)/p-1/b8-4-.
What are the key properties of (Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate?
(Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate has a molecular weight of 238.23 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-5-fluoro-4,4-bis(1-fluoroethyl)hex-2-enoate is sourced from PubChem (CID 18465959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).