5-(chloromethylidene)cyclopenta-1,3-diene fluoride

C6H5ClF- — CID 139243619

IUPAC5-(chloromethylidene)cyclopenta-1,3-diene fluoride
SMILESClC=C1C=CC=C1.[F-]
InChIInChI=1S/C6H5Cl.FH/c7-5-6-3-1-2-4-6;/h1-5H;1H/p-1
InChIKeyKTLCNCRRIYPBEV-UHFFFAOYSA-M
MW131.56 g/mol
LogP-0.76
Rot. Bonds

About 5-(chloromethylidene)cyclopenta-1,3-diene fluoride

5-(chloromethylidene)cyclopenta-1,3-diene fluoride (PubChem CID 139243619) has the molecular formula C6H5ClF- and a molecular weight of 131.56 g/mol. Its IUPAC name is 5-(chloromethylidene)cyclopenta-1,3-diene fluoride.

Molecular Properties

Compound Name5-(chloromethylidene)cyclopenta-1,3-diene fluoride
PubChem CID139243619
Molecular FormulaC6H5ClF-
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name5-(chloromethylidene)cyclopenta-1,3-diene fluoride
SMILESClC=C1C=CC=C1.[F-]
InChIInChI=1S/C6H5Cl.FH/c7-5-6-3-1-2-4-6;/h1-5H;1H/p-1
InChIKeyKTLCNCRRIYPBEV-UHFFFAOYSA-M
XLogP-0.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethylidene)cyclopenta-1,3-diene fluoride?
The IUPAC name of 5-(chloromethylidene)cyclopenta-1,3-diene fluoride (CID 139243619) is 5-(chloromethylidene)cyclopenta-1,3-diene fluoride.
What is the SMILES notation for 5-(chloromethylidene)cyclopenta-1,3-diene fluoride?
The canonical SMILES for 5-(chloromethylidene)cyclopenta-1,3-diene fluoride is ClC=C1C=CC=C1.[F-].
What is the InChIKey of 5-(chloromethylidene)cyclopenta-1,3-diene fluoride?
The InChIKey is KTLCNCRRIYPBEV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5Cl.FH/c7-5-6-3-1-2-4-6;/h1-5H;1H/p-1.
What are the key properties of 5-(chloromethylidene)cyclopenta-1,3-diene fluoride?
5-(chloromethylidene)cyclopenta-1,3-diene fluoride has a molecular weight of 131.56 g/mol, XLogP of -0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethylidene)cyclopenta-1,3-diene fluoride is sourced from PubChem (CID 139243619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).