(2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one

C10H6F3NO3 — CID 142618664

IUPAC(2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one
SMILESO=C1/C(=N\O)Cc2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C10H6F3NO3/c11-10(12,13)17-6-2-1-5-3-8(14-16)9(15)7(5)4-6/h1-2,4,16H,3H2/b14-8-
InChIKeySOOTUVKZWFXGFH-ZSOIEALJSA-N
MW245.16 g/mol
LogP2.15
Rot. Bonds1

About (2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one

(2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one (PubChem CID 142618664) has the molecular formula C10H6F3NO3 and a molecular weight of 245.16 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one
PubChem CID142618664
Molecular FormulaC10H6F3NO3
Molecular Weight245.16 g/mol
Exact Mass245.03
IUPAC Name(2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one
SMILESO=C1/C(=N\O)Cc2ccc(OC(F)(F)F)cc21
InChIInChI=1S/C10H6F3NO3/c11-10(12,13)17-6-2-1-5-3-8(14-16)9(15)7(5)4-6/h1-2,4,16H,3H2/b14-8-
InChIKeySOOTUVKZWFXGFH-ZSOIEALJSA-N
XLogP2.15
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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

5-(trifluoromethoxy)-2,3-dihydroinden-1-one
CID 22119026
2-methyl-6-(trifluoromethoxy)-3H-isoindol-1-one
CID 71177037
(2E)-2-hydroxyimino-6-methoxy-3H-inden-1-one;6-methoxy-2,3-dihydroinden-1-one;3-methylbutyl nitrite
CID 172932814
(2E)-2-hydroxyimino-6-methoxy-3,4-dihydronaphthalen-1-one
CID 6412519
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
2-propan-2-yl-5-(trifluoromethoxy)-3H-isoindol-1-one
CID 172605277
6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline
CID 91102700
6-(trifluoromethoxy)-2,3-dihydro-1H-quinolin-4-one
CID 15550363
9H-fluoren-3-yl trifluoromethanesulfonate
CID 155935169
6-fluoro-10,10-dihydroxy-2-(trifluoromethoxy)-9H-thioxanthene
CID 69166350
2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377936
1-[5-oxo-8-(trifluoromethoxy)dibenzothiophen-2-yl]ethanone
CID 71712775

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one?
The IUPAC name of (2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one (CID 142618664) is (2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one.
What is the SMILES notation for (2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one?
The canonical SMILES for (2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one is O=C1/C(=N\O)Cc2ccc(OC(F)(F)F)cc21.
What is the InChIKey of (2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one?
The InChIKey is SOOTUVKZWFXGFH-ZSOIEALJSA-N. The full InChI is InChI=1S/C10H6F3NO3/c11-10(12,13)17-6-2-1-5-3-8(14-16)9(15)7(5)4-6/h1-2,4,16H,3H2/b14-8-.
What are the key properties of (2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one?
(2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one has a molecular weight of 245.16 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-6-(trifluoromethoxy)-3H-inden-1-one is sourced from PubChem (CID 142618664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).