[(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide

C11H10Cl2F3N2O- — CID 163588218

IUPAC[(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide
SMILESC/C(N)=C/C([NH-])Oc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10Cl2F3N2O/c1-5(17)2-9(18)19-10-7(12)3-6(4-8(10)13)11(14,15)16/h2-4,9,18H,17H2,1H3/q-1/b5-2-
InChIKeyGNHIYCBORIIGCZ-DJWKRKHSSA-N
MW314.11 g/mol
LogP4.63
Rot. Bonds3

About [(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide

[(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide (PubChem CID 163588218) has the molecular formula C11H10Cl2F3N2O- and a molecular weight of 314.11 g/mol. Its IUPAC name is [(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide.

Molecular Properties

Compound Name[(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide
PubChem CID163588218
Molecular FormulaC11H10Cl2F3N2O-
Molecular Weight314.11 g/mol
Exact Mass313.01
IUPAC Name[(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide
SMILESC/C(N)=C/C([NH-])Oc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H10Cl2F3N2O/c1-5(17)2-9(18)19-10-7(12)3-6(4-8(10)13)11(14,15)16/h2-4,9,18H,17H2,1H3/q-1/b5-2-
InChIKeyGNHIYCBORIIGCZ-DJWKRKHSSA-N
XLogP4.63
TPSA59.05 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.11
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide?
The IUPAC name of [(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide (CID 163588218) is [(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide.
What is the SMILES notation for [(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide?
The canonical SMILES for [(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide is C/C(N)=C/C([NH-])Oc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of [(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide?
The InChIKey is GNHIYCBORIIGCZ-DJWKRKHSSA-N. The full InChI is InChI=1S/C11H10Cl2F3N2O/c1-5(17)2-9(18)19-10-7(12)3-6(4-8(10)13)11(14,15)16/h2-4,9,18H,17H2,1H3/q-1/b5-2-.
What are the key properties of [(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide?
[(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide has a molecular weight of 314.11 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide is sourced from PubChem (CID 163588218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).