1-fluoro-5-methylidenecyclopenta-1,3-diene

C6H5F — CID 139243594

IUPAC1-fluoro-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C=CC=C1F
InChIInChI=1S/C6H5F/c1-5-3-2-4-6(5)7/h2-4H,1H2
InChIKeyJJFPUYRNANXHTL-UHFFFAOYSA-N
MW96.10 g/mol
LogP1.97
Rot. Bonds

About 1-fluoro-5-methylidenecyclopenta-1,3-diene

1-fluoro-5-methylidenecyclopenta-1,3-diene (PubChem CID 139243594) has the molecular formula C6H5F and a molecular weight of 96.10 g/mol. Its IUPAC name is 1-fluoro-5-methylidenecyclopenta-1,3-diene.

Molecular Properties

Compound Name1-fluoro-5-methylidenecyclopenta-1,3-diene
PubChem CID139243594
Molecular FormulaC6H5F
Molecular Weight96.10 g/mol
Exact Mass96.04
IUPAC Name1-fluoro-5-methylidenecyclopenta-1,3-diene
SMILESC=C1C=CC=C1F
InChIInChI=1S/C6H5F/c1-5-3-2-4-6(5)7/h2-4H,1H2
InChIKeyJJFPUYRNANXHTL-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.10
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Fulvene
CID 136323
2-Methylcyclopentadiene
CID 138026
1,3-Cyclopentadiene, 5-ethenylidene-
CID 141330
6-Methylfulvene
CID 138062
1-(Trifluoromethyl)cyclopenta-1,3-diene
CID 21188888
Bicyclo(3.2.0)hepta-1,4,6-triene
CID 141994
5-(Trifluoromethyl)-1,3-cyclopentadiene
CID 11987448
5-(2-Cyclopropen-1-ylidene)-1,3-cyclopentadiene
CID 12302244
5-Fluorocyclopenta-1,3-diene
CID 13759162
2-(Trifluoromethyl)cyclopenta-1,3-diene
CID 17775240
1-Fluoro-3,6-dimethylidenecyclohexa-1,4-diene
CID 22182860
5-(2,2,2-Trifluoroethylidene)cyclopenta-1,3-diene
CID 85815320

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-methylidenecyclopenta-1,3-diene?
The IUPAC name of 1-fluoro-5-methylidenecyclopenta-1,3-diene (CID 139243594) is 1-fluoro-5-methylidenecyclopenta-1,3-diene.
What is the SMILES notation for 1-fluoro-5-methylidenecyclopenta-1,3-diene?
The canonical SMILES for 1-fluoro-5-methylidenecyclopenta-1,3-diene is C=C1C=CC=C1F.
What is the InChIKey of 1-fluoro-5-methylidenecyclopenta-1,3-diene?
The InChIKey is JJFPUYRNANXHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F/c1-5-3-2-4-6(5)7/h2-4H,1H2.
What are the key properties of 1-fluoro-5-methylidenecyclopenta-1,3-diene?
1-fluoro-5-methylidenecyclopenta-1,3-diene has a molecular weight of 96.10 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-methylidenecyclopenta-1,3-diene is sourced from PubChem (CID 139243594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).