1-fluoro-4-methylcyclopenta-1,3-diene

C6H7F — CID 143604595

IUPAC1-fluoro-4-methylcyclopenta-1,3-diene
SMILESCC1=CC=C(F)C1
InChIInChI=1S/C6H7F/c1-5-2-3-6(7)4-5/h2-3H,4H2,1H3
InChIKeyZRURVCRONGZVOD-UHFFFAOYSA-N
MW98.12 g/mol
LogP2.19
Rot. Bonds

About 1-fluoro-4-methylcyclopenta-1,3-diene

1-fluoro-4-methylcyclopenta-1,3-diene (PubChem CID 143604595) has the molecular formula C6H7F and a molecular weight of 98.12 g/mol. Its IUPAC name is 1-fluoro-4-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-fluoro-4-methylcyclopenta-1,3-diene
PubChem CID143604595
Molecular FormulaC6H7F
Molecular Weight98.12 g/mol
Exact Mass98.05
IUPAC Name1-fluoro-4-methylcyclopenta-1,3-diene
SMILESCC1=CC=C(F)C1
InChIInChI=1S/C6H7F/c1-5-2-3-6(7)4-5/h2-3H,4H2,1H3
InChIKeyZRURVCRONGZVOD-UHFFFAOYSA-N
XLogP2.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.12
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-fluoro-4-methylcyclopenta-1,3-diene 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

1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 59165307
1-fluoro-3-(3-fluoro-4-methylphenyl)-6-methylcyclohepta-1,3,5-triene
CID 134254276
1-iodo-4-methylcyclopenta-1,3-diene
CID 146551117
4-methylcyclopenta-1,3-dien-1-ol
CID 72585144
(1E,3E,6E)-1,3-difluoro-7-methylcycloocta-1,3,6-triene
CID 130195066
6-methyl-1,3-bis(trifluoromethyl)cyclohepta-1,3,5-triene
CID 143436257
1-methyl-4-propylcyclopenta-1,3-diene
CID 18798459
1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene
CID 143480455
2-fluoro-1,4-dimethylcyclopenta-1,3-diene
CID 142132624
(NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine
CID 123246607
butan-1-imine;ethane;ethylcyclohexane;1-fluoro-4-methylcyclopenta-1,3-diene;methane;(2Z,4Z)-3-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine;hydrate
CID 143604594
(E)-but-2-ene;1-tert-butyl-4-methylcyclopenta-1,3-diene;ethane
CID 143856298

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylcyclopenta-1,3-diene?
The IUPAC name of 1-fluoro-4-methylcyclopenta-1,3-diene (CID 143604595) is 1-fluoro-4-methylcyclopenta-1,3-diene.
What is the SMILES notation for 1-fluoro-4-methylcyclopenta-1,3-diene?
The canonical SMILES for 1-fluoro-4-methylcyclopenta-1,3-diene is CC1=CC=C(F)C1.
What is the InChIKey of 1-fluoro-4-methylcyclopenta-1,3-diene?
The InChIKey is ZRURVCRONGZVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F/c1-5-2-3-6(7)4-5/h2-3H,4H2,1H3.
What are the key properties of 1-fluoro-4-methylcyclopenta-1,3-diene?
1-fluoro-4-methylcyclopenta-1,3-diene has a molecular weight of 98.12 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylcyclopenta-1,3-diene is sourced from PubChem (CID 143604595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).