cyclopenta-2,4-dien-1-ylidenemethanol fluoride

C6H6FO- — CID 139243616

IUPACcyclopenta-2,4-dien-1-ylidenemethanol fluoride
SMILESOC=C1C=CC=C1.[F-]
InChIInChI=1S/C6H6O.FH/c7-5-6-3-1-2-4-6;/h1-5,7H;1H/p-1
InChIKeyXZTMRDOGBFGXRU-UHFFFAOYSA-M
MW113.11 g/mol
LogP-1.44
Rot. Bonds

About cyclopenta-2,4-dien-1-ylidenemethanol fluoride

cyclopenta-2,4-dien-1-ylidenemethanol fluoride (PubChem CID 139243616) has the molecular formula C6H6FO- and a molecular weight of 113.11 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-ylidenemethanol fluoride.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-ylidenemethanol fluoride
PubChem CID139243616
Molecular FormulaC6H6FO-
Molecular Weight113.11 g/mol
Exact Mass113.04
IUPAC Namecyclopenta-2,4-dien-1-ylidenemethanol fluoride
SMILESOC=C1C=CC=C1.[F-]
InChIInChI=1S/C6H6O.FH/c7-5-6-3-1-2-4-6;/h1-5,7H;1H/p-1
InChIKeyXZTMRDOGBFGXRU-UHFFFAOYSA-M
XLogP-1.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.11
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze cyclopenta-2,4-dien-1-ylidenemethanol fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclopenta-2,4-dien-1-ylidenemethyl)hydroxylamine fluoride
CID 139243614
cyclopenta-2,4-dien-1-ylidenemethanamine fluoride
CID 139243613
5-(1-tritioethylidene)cyclopenta-1,3-diene
CID 58905763
1H-pyridin-2-ylidenemethanol
CID 154723052
(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(4-iodophenyl)prop-1-en-1-ol
CID 139234487
cyclopenta-2,4-dien-1-ylidenemethyl formate
CID 174902385
1-cyclopenta-2,4-dien-1-ylidene-3-methylbut-2-en-1-ol
CID 140977465
(2-methylcyclopenta-2,4-dien-1-ylidene)methanol
CID 131740907
5-penta-1,4-dien-3-ylidenecyclopenta-1,3-diene
CID 18349422
2-[(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl]-3-methoxyphenol
CID 71592841
2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol
CID 161072337
(Z)-[2-(dimethylamino)cyclopenta-2,4-dien-1-ylidene]methanol
CID 153344627

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-ylidenemethanol fluoride?
The IUPAC name of cyclopenta-2,4-dien-1-ylidenemethanol fluoride (CID 139243616) is cyclopenta-2,4-dien-1-ylidenemethanol fluoride.
What is the SMILES notation for cyclopenta-2,4-dien-1-ylidenemethanol fluoride?
The canonical SMILES for cyclopenta-2,4-dien-1-ylidenemethanol fluoride is OC=C1C=CC=C1.[F-].
What is the InChIKey of cyclopenta-2,4-dien-1-ylidenemethanol fluoride?
The InChIKey is XZTMRDOGBFGXRU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O.FH/c7-5-6-3-1-2-4-6;/h1-5,7H;1H/p-1.
What are the key properties of cyclopenta-2,4-dien-1-ylidenemethanol fluoride?
cyclopenta-2,4-dien-1-ylidenemethanol fluoride has a molecular weight of 113.11 g/mol, XLogP of -1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-ylidenemethanol fluoride is sourced from PubChem (CID 139243616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).