(9Z)-1-ethyl-9-(2-iodoethylidene)fluorene

C17H15I — CID 89170267

IUPAC(9Z)-1-ethyl-9-(2-iodoethylidene)fluorene
SMILESCCc1cccc2c1/C(=C\CI)c1ccccc1-2
InChIInChI=1S/C17H15I/c1-2-12-6-5-9-15-13-7-3-4-8-14(13)16(10-11-18)17(12)15/h3-10H,2,11H2,1H3/b16-10-
InChIKeyGDOYIWRKLGPRKP-YBEGLDIGSA-N
MW346.21 g/mol
LogP5.10
Rot. Bonds2

About (9Z)-1-ethyl-9-(2-iodoethylidene)fluorene

(9Z)-1-ethyl-9-(2-iodoethylidene)fluorene (PubChem CID 89170267) has the molecular formula C17H15I and a molecular weight of 346.21 g/mol. Its IUPAC name is (9Z)-1-ethyl-9-(2-iodoethylidene)fluorene.

Molecular Properties

Compound Name(9Z)-1-ethyl-9-(2-iodoethylidene)fluorene
PubChem CID89170267
Molecular FormulaC17H15I
Molecular Weight346.21 g/mol
Exact Mass346.02
IUPAC Name(9Z)-1-ethyl-9-(2-iodoethylidene)fluorene
SMILESCCc1cccc2c1/C(=C\CI)c1ccccc1-2
InChIInChI=1S/C17H15I/c1-2-12-6-5-9-15-13-7-3-4-8-14(13)16(10-11-18)17(12)15/h3-10H,2,11H2,1H3/b16-10-
InChIKeyGDOYIWRKLGPRKP-YBEGLDIGSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (9Z)-1-ethyl-9-(2-iodoethylidene)fluorene?
The IUPAC name of (9Z)-1-ethyl-9-(2-iodoethylidene)fluorene (CID 89170267) is (9Z)-1-ethyl-9-(2-iodoethylidene)fluorene.
What is the SMILES notation for (9Z)-1-ethyl-9-(2-iodoethylidene)fluorene?
The canonical SMILES for (9Z)-1-ethyl-9-(2-iodoethylidene)fluorene is CCc1cccc2c1/C(=C\CI)c1ccccc1-2.
What is the InChIKey of (9Z)-1-ethyl-9-(2-iodoethylidene)fluorene?
The InChIKey is GDOYIWRKLGPRKP-YBEGLDIGSA-N. The full InChI is InChI=1S/C17H15I/c1-2-12-6-5-9-15-13-7-3-4-8-14(13)16(10-11-18)17(12)15/h3-10H,2,11H2,1H3/b16-10-.
What are the key properties of (9Z)-1-ethyl-9-(2-iodoethylidene)fluorene?
(9Z)-1-ethyl-9-(2-iodoethylidene)fluorene has a molecular weight of 346.21 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-1-ethyl-9-(2-iodoethylidene)fluorene is sourced from PubChem (CID 89170267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).