(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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Launch Full Analysis

Related Compounds

(E)-4-oxo-4-oxonio-3-propan-2-ylsulfanylbut-2-enoate
CID 168830574
(2S)-2-fluoropropanamide
CID 129374964
azanium 4-amino-3-methyl-4-oxobut-2-enoate
CID 57371237
(3-fluoro-2-methylbutan-2-yl) acetate
CID 153406673
potassium 2-aminopropanoate
CID 21339510
bis((Z)-3-chlorobut-2-enoate);mercury(2+)
CID 22603930
bis(antimony(3+));tris((Z)-2-methylbut-2-enedioate)
CID 160759783
(E)-2-tert-butylperoxybut-2-enedioate
CID 22494407
magnesium bis(3-methylbut-2-enoate)
CID 140862404
disodium;(E)-2-acetylbut-2-enedioate
CID 175067117
3-bromo-2-oxobutanoate
CID 23470142
calcium;bis(3-methyl-2-oxobutanoate);hydrate
CID 71317401

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).