(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride

C11H7Cl2FO — CID 11107593

IUPAC(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride
SMILESO=C(Cl)/C=C1\CCc2c(Cl)cc(F)cc21
InChIInChI=1S/C11H7Cl2FO/c12-10-5-7(14)4-9-6(3-11(13)15)1-2-8(9)10/h3-5H,1-2H2/b6-3+
InChIKeyHOGIORNCBHTVJG-ZZXKWVIFSA-N
MW245.08 g/mol
LogP3.57
Rot. Bonds1

About (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride

(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride (PubChem CID 11107593) has the molecular formula C11H7Cl2FO and a molecular weight of 245.08 g/mol. Its IUPAC name is (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride.

Molecular Properties

Compound Name(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride
PubChem CID11107593
Molecular FormulaC11H7Cl2FO
Molecular Weight245.08 g/mol
Exact Mass243.99
IUPAC Name(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride
SMILESO=C(Cl)/C=C1\CCc2c(Cl)cc(F)cc21
InChIInChI=1S/C11H7Cl2FO/c12-10-5-7(14)4-9-6(3-11(13)15)1-2-8(9)10/h3-5H,1-2H2/b6-3+
InChIKeyHOGIORNCBHTVJG-ZZXKWVIFSA-N
XLogP3.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 23293667
2-(6-fluoro-4-methyl-2,3-dihydroinden-1-ylidene)-N-methylacetamide
CID 54433893
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethylacetamide
CID 11020910
(2E)-2-(4,6-difluoro-2,3-dihydroinden-1-ylidene)-N-ethyl-N-methylacetamide
CID 11779944
2-(6-fluoro-3,3-dimethyl-2H-inden-1-ylidene)acetyl chloride
CID 57269691
(2E)-2-(6-chloro-4-fluoro-2,3-dihydroinden-1-ylidene)-N-cyclopropylacetamide
CID 11780420
(2E)-2-(5-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetamide
CID 11031537
2,3-dichloro-5-fluorobenzoic acid
CID 19013031
(1Z)-1-(5-fluoro-2,3-dihydroinden-1-ylidene)propan-2-one
CID 116532637
8-chloro-6-fluoro-3,3-dimethyl-1H-isothiochromen-4-one
CID 82888398
(2E)-2-(6-chloro-2,3-dihydroinden-1-ylidene)acetic acid
CID 82077740
N-(2,6-dichloro-4-fluorophenyl)-4-hydroxybutanamide
CID 83082072

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride?
The IUPAC name of (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride (CID 11107593) is (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride.
What is the SMILES notation for (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride?
The canonical SMILES for (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride is O=C(Cl)/C=C1\CCc2c(Cl)cc(F)cc21.
What is the InChIKey of (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride?
The InChIKey is HOGIORNCBHTVJG-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H7Cl2FO/c12-10-5-7(14)4-9-6(3-11(13)15)1-2-8(9)10/h3-5H,1-2H2/b6-3+.
What are the key properties of (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride?
(2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride has a molecular weight of 245.08 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4-chloro-6-fluoro-2,3-dihydroinden-1-ylidene)acetyl chloride is sourced from PubChem (CID 11107593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).