6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol

C10H7ClF3NO3 — CID 2849962

IUPAC6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol
SMILESON=C1CC(O)(C(F)(F)F)Oc2ccc(Cl)cc21
InChIInChI=1S/C10H7ClF3NO3/c11-5-1-2-8-6(3-5)7(15-17)4-9(16,18-8)10(12,13)14/h1-3,16-17H,4H2
InChIKeyXCZYMAYEBAWIIK-UHFFFAOYSA-N
MW281.62 g/mol
LogP2.55
Rot. Bonds

About 6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol

6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol (PubChem CID 2849962) has the molecular formula C10H7ClF3NO3 and a molecular weight of 281.62 g/mol. Its IUPAC name is 6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol.

Molecular Properties

Compound Name6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol
PubChem CID2849962
Molecular FormulaC10H7ClF3NO3
Molecular Weight281.62 g/mol
Exact Mass281.01
IUPAC Name6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol
SMILESON=C1CC(O)(C(F)(F)F)Oc2ccc(Cl)cc21
InChIInChI=1S/C10H7ClF3NO3/c11-5-1-2-8-6(3-5)7(15-17)4-9(16,18-8)10(12,13)14/h1-3,16-17H,4H2
InChIKeyXCZYMAYEBAWIIK-UHFFFAOYSA-N
XLogP2.55
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.62
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2R,4E)-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol
CID 7285232
(4Z)-4-hydroxyimino-2,6-dimethyl-3H-chromen-2-ol
CID 135249338
(NE)-N-(6-chlorospiro[2H-indene-3,1'-cyclopentane]-1-ylidene)hydroxylamine
CID 88795334
(NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 91622608
(3R)-6-chloro-3-hydroxy-3-(trifluoromethyl)-2-benzofuran-1-one
CID 124789520
6-chloro-3'-(trifluoromethyl)spiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672712
5-chloro-2,2-difluoro-3-methylidene-1-benzofuran
CID 134954839
6-chloro-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
CID 84736618
(2E)-2-(6-chlorospiro[3H-chromene-2,1'-cyclobutane]-4-ylidene)acetic acid
CID 67107502
(2E)-6-chloro-2-hydroxyimino-3H-inden-1-one
CID 91621228
(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
CID 830125
6-chloro-1',2'-dimethylspiro[3H-chromene-2,4'-pyrrolidine]-4-one
CID 114673017

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol?
The IUPAC name of 6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol (CID 2849962) is 6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol.
What is the SMILES notation for 6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol?
The canonical SMILES for 6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol is ON=C1CC(O)(C(F)(F)F)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol?
The InChIKey is XCZYMAYEBAWIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3NO3/c11-5-1-2-8-6(3-5)7(15-17)4-9(16,18-8)10(12,13)14/h1-3,16-17H,4H2.
What are the key properties of 6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol?
6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol has a molecular weight of 281.62 g/mol, XLogP of 2.55, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-hydroxyimino-2-(trifluoromethyl)-3H-chromen-2-ol is sourced from PubChem (CID 2849962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).