(2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide

C11H9F2NO — CID 23293667

IUPAC(2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1/CCc2c(F)cc(F)cc21
InChIInChI=1S/C11H9F2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3-
InChIKeyAQTRJSKRZHDGEX-UTCJRWHESA-N
MW209.20 g/mol
LogP1.78
Rot. Bonds1

About (2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide

(2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide (PubChem CID 23293667) has the molecular formula C11H9F2NO and a molecular weight of 209.20 g/mol. Its IUPAC name is (2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
PubChem CID23293667
Molecular FormulaC11H9F2NO
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name(2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
SMILESNC(=O)/C=C1/CCc2c(F)cc(F)cc21
InChIInChI=1S/C11H9F2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3-
InChIKeyAQTRJSKRZHDGEX-UTCJRWHESA-N
XLogP1.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide
CID 11020910
(2E)-N-cyclopropyl-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 11747017
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide
CID 11779944
(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride
CID 11107593
(2E)-2-(5-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 11031537
2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 54433893
(2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
CID 11780420
(2E)-2-(6-bromo-2,3-dihydroinden-1-ylidene)acetamide
CID 10956023
(2E)-2-(5-methoxy-2,3-dihydroinden-1-ylidene)acetamide
CID 10888983
(2E)-2-(7-fluoro-1-oxo-2,3,4,10-tetrahydroazepino[3,4-b]indol-5-ylidene)acetamide
CID 70891464
(2E)-2-(5-fluoro-2,3-dihydroinden-1-ylidene)acetic acid
CID 23293571
(2E)-2-(4,6-dichloro-2,3-dihydroinden-1-ylidene)acetic acid
CID 67563935

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The IUPAC name of (2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide (CID 23293667) is (2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide.
What is the SMILES notation for (2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The canonical SMILES for (2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide is NC(=O)/C=C1/CCc2c(F)cc(F)cc21.
What is the InChIKey of (2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
The InChIKey is AQTRJSKRZHDGEX-UTCJRWHESA-N. The full InChI is InChI=1S/C11H9F2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3-.
What are the key properties of (2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide?
(2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide has a molecular weight of 209.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide is sourced from PubChem (CID 23293667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).