2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine

C10H6Cl3F3N2O — CID 173471874

IUPAC2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(Cl)=C(N)Oc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H6Cl3F3N2O/c11-5-1-4(10(14,15)16)2-6(12)8(5)19-9(18)7(13)3-17/h1-3,17H,18H2/b9-7?,17-3+
InChIKeyOOBIUFYJWXGXNI-POBXHXLDSA-N
MW333.52 g/mol
LogP4.41
Rot. Bonds3

About 2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine

2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine (PubChem CID 173471874) has the molecular formula C10H6Cl3F3N2O and a molecular weight of 333.52 g/mol. Its IUPAC name is 2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine
PubChem CID173471874
Molecular FormulaC10H6Cl3F3N2O
Molecular Weight333.52 g/mol
Exact Mass331.95
IUPAC Name2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(Cl)=C(N)Oc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H6Cl3F3N2O/c11-5-1-4(10(14,15)16)2-6(12)8(5)19-9(18)7(13)3-17/h1-3,17H,18H2/b9-7?,17-3+
InChIKeyOOBIUFYJWXGXNI-POBXHXLDSA-N
XLogP4.41
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

chloroethane;[2,6-dichloro-4-(trifluoromethyl)phenyl] 2-hydrazinylideneacetate
CID 157203688
[(Z)-3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-2-enyl]azanide
CID 163588218
1,3-dichloro-2-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 171009487
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
diaminomethylidene-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylazanium
CID 6977612
(1E)-1-[(E)-4-amino-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]but-3-en-2-ylidene]-3-(2-oxoethyl)urea
CID 88953041
2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol
CID 21466281
2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol
CID 84690065
2-bromo-6-chloro-4-(trifluoromethyl)phenol
CID 84714200
1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 84708311
(2,3,4,5,6-pentafluorophenyl) 2,6-dichloro-4-(trifluoromethyl)benzenesulfonate
CID 43835685
2-chloro-N'-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,2-difluoroethanimidamide
CID 15906753

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine?
The IUPAC name of 2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine (CID 173471874) is 2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for 2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine?
The canonical SMILES for 2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine is [H]/N=C/C(Cl)=C(N)Oc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine?
The InChIKey is OOBIUFYJWXGXNI-POBXHXLDSA-N. The full InChI is InChI=1S/C10H6Cl3F3N2O/c11-5-1-4(10(14,15)16)2-6(12)8(5)19-9(18)7(13)3-17/h1-3,17H,18H2/b9-7?,17-3+.
What are the key properties of 2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine?
2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine has a molecular weight of 333.52 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 173471874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).