(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide

C13H14FNO — CID 10889405

IUPAC(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide
SMILESCN(C)C(=O)/C=C1\CCc2ccc(F)cc21
InChIInChI=1S/C13H14FNO/c1-15(2)13(16)7-10-4-3-9-5-6-11(14)8-12(9)10/h5-8H,3-4H2,1-2H3/b10-7+
InChIKeyCDUOSLQTSCSZEO-JXMROGBWSA-N
MW219.26 g/mol
LogP2.24
Rot. Bonds1

About (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide

(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide (PubChem CID 10889405) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide.

Molecular Properties

Compound Name(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide
PubChem CID10889405
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide
SMILESCN(C)C(=O)/C=C1\CCc2ccc(F)cc21
InChIInChI=1S/C13H14FNO/c1-15(2)13(16)7-10-4-3-9-5-6-11(14)8-12(9)10/h5-8H,3-4H2,1-2H3/b10-7+
InChIKeyCDUOSLQTSCSZEO-JXMROGBWSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide?
The IUPAC name of (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide (CID 10889405) is (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide.
What is the SMILES notation for (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide?
The canonical SMILES for (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide is CN(C)C(=O)/C=C1\CCc2ccc(F)cc21.
What is the InChIKey of (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide?
The InChIKey is CDUOSLQTSCSZEO-JXMROGBWSA-N. The full InChI is InChI=1S/C13H14FNO/c1-15(2)13(16)7-10-4-3-9-5-6-11(14)8-12(9)10/h5-8H,3-4H2,1-2H3/b10-7+.
What are the key properties of (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide?
(2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide has a molecular weight of 219.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(6-fluoro-2,3-dihydroinden-1-ylidene)-N,N-dimethylacetamide is sourced from PubChem (CID 10889405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).