2-fluoro-1,4-dimethylcyclopenta-1,3-diene

C7H9F — CID 142132624

IUPAC2-fluoro-1,4-dimethylcyclopenta-1,3-diene
SMILESCC1=CC(F)=C(C)C1
InChIInChI=1S/C7H9F/c1-5-3-6(2)7(8)4-5/h4H,3H2,1-2H3
InChIKeyQJPFHCRACWJSNF-UHFFFAOYSA-N
MW112.15 g/mol
LogP2.58
Rot. Bonds

About 2-fluoro-1,4-dimethylcyclopenta-1,3-diene

2-fluoro-1,4-dimethylcyclopenta-1,3-diene (PubChem CID 142132624) has the molecular formula C7H9F and a molecular weight of 112.15 g/mol. Its IUPAC name is 2-fluoro-1,4-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-fluoro-1,4-dimethylcyclopenta-1,3-diene
PubChem CID142132624
Molecular FormulaC7H9F
Molecular Weight112.15 g/mol
Exact Mass112.07
IUPAC Name2-fluoro-1,4-dimethylcyclopenta-1,3-diene
SMILESCC1=CC(F)=C(C)C1
InChIInChI=1S/C7H9F/c1-5-3-6(2)7(8)4-5/h4H,3H2,1-2H3
InChIKeyQJPFHCRACWJSNF-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride
CID 175042013
2,5-dimethyl-1,4-dihydropentalene
CID 149449471
2-fluoro-4-methylcyclohepta-1,3,6-trien-1-amine
CID 143169128
1-fluoro-4-methylcyclopenta-1,3-diene
CID 143604595
2-fluoro-4-methyl-1-(trifluoromethoxy)cyclohexa-1,3-diene
CID 143584867
2,6-difluoro-4-methyl-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 154523003
4,6,7-trifluoro-2-methyl-5-[(2-methylpropan-2-yl)oxy]-1H-indene
CID 158433882
(2,4-dimethylcyclopenta-1,3-dien-1-yl)silane
CID 154163824
(1E,3E,6E)-1,3-difluoro-7-methylcycloocta-1,3,6-triene
CID 130195066
2,6-dimethyl-1,7-dihydro-s-indacene
CID 12975727
4-bromo-7-[(7-bromo-2-methyl-3H-inden-4-yl)sulfanyl]-2-methyl-1H-indene
CID 59832535
ethane;2-fluoro-1-[3-fluoro-4-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-methylcyclohexa-1,3-diene
CID 153354240

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,4-dimethylcyclopenta-1,3-diene?
The IUPAC name of 2-fluoro-1,4-dimethylcyclopenta-1,3-diene (CID 142132624) is 2-fluoro-1,4-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for 2-fluoro-1,4-dimethylcyclopenta-1,3-diene?
The canonical SMILES for 2-fluoro-1,4-dimethylcyclopenta-1,3-diene is CC1=CC(F)=C(C)C1.
What is the InChIKey of 2-fluoro-1,4-dimethylcyclopenta-1,3-diene?
The InChIKey is QJPFHCRACWJSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F/c1-5-3-6(2)7(8)4-5/h4H,3H2,1-2H3.
What are the key properties of 2-fluoro-1,4-dimethylcyclopenta-1,3-diene?
2-fluoro-1,4-dimethylcyclopenta-1,3-diene has a molecular weight of 112.15 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,4-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 142132624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).