(1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride

C8H4ClF4NO2 — CID 177201389

IUPAC(1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
SMILESO/N=C(\Cl)c1cc(F)cc(C(F)(F)F)c1O
InChIInChI=1S/C8H4ClF4NO2/c9-7(14-16)4-1-3(10)2-5(6(4)15)8(11,12)13/h1-2,15-16H/b14-7-
InChIKeyXFUCDXVVRUJYCO-AUWJEWJLSA-N
MW257.57 g/mol
LogP2.92
Rot. Bonds1

About (1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride

(1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride (PubChem CID 177201389) has the molecular formula C8H4ClF4NO2 and a molecular weight of 257.57 g/mol. Its IUPAC name is (1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride.

Molecular Properties

Compound Name(1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
PubChem CID177201389
Molecular FormulaC8H4ClF4NO2
Molecular Weight257.57 g/mol
Exact Mass256.99
IUPAC Name(1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
SMILESO/N=C(\Cl)c1cc(F)cc(C(F)(F)F)c1O
InChIInChI=1S/C8H4ClF4NO2/c9-7(14-16)4-1-3(10)2-5(6(4)15)8(11,12)13/h1-2,15-16H/b14-7-
InChIKeyXFUCDXVVRUJYCO-AUWJEWJLSA-N
XLogP2.92
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.57
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride
CID 51503951
4-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
CID 130174116
(1Z)-2-fluoro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 87352351
2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 153354866
(1Z)-2-chloro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 155775657
4-fluoro-2-nitro-6-(trifluoromethyl)phenol
CID 69400502
(1E)-4-chloro-2-fluoro-N-hydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride
CID 126578214
4-fluoro-N-hydroxy-2-methylbenzenecarboximidoyl chloride
CID 130174120
(1Z)-N-hydroxy-2-(trifluoromethyl)benzenecarboximidoyl chloride;(NE)-N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 172962430
1,2-dichloro-5-fluoro-3-(trifluoromethyl)benzene
CID 119018682
2-chloro-6-fluoro-3-(trifluoromethyl)phenol
CID 59010056
propan-2-yl 2-chloro-5-fluoro-3-(trifluoromethyl)benzoate
CID 146035158

Frequently Asked Questions

What is the IUPAC name of (1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride?
The IUPAC name of (1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride (CID 177201389) is (1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride.
What is the SMILES notation for (1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride?
The canonical SMILES for (1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride is O/N=C(\Cl)c1cc(F)cc(C(F)(F)F)c1O.
What is the InChIKey of (1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride?
The InChIKey is XFUCDXVVRUJYCO-AUWJEWJLSA-N. The full InChI is InChI=1S/C8H4ClF4NO2/c9-7(14-16)4-1-3(10)2-5(6(4)15)8(11,12)13/h1-2,15-16H/b14-7-.
What are the key properties of (1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride?
(1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride has a molecular weight of 257.57 g/mol, XLogP of 2.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-5-fluoro-N,2-dihydroxy-3-(trifluoromethyl)benzenecarboximidoyl chloride is sourced from PubChem (CID 177201389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).