1,2-difluoro-4-(2-methylidenecyclopropyl)benzene

C10H8F2 — CID 123284155

IUPAC1,2-difluoro-4-(2-methylidenecyclopropyl)benzene
SMILESC=C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2/c1-6-4-8(6)7-2-3-9(11)10(12)5-7/h2-3,5,8H,1,4H2
InChIKeyFEVKEWSMYDJTQE-UHFFFAOYSA-N
MW166.17 g/mol
LogP3.01
Rot. Bonds1

About 1,2-difluoro-4-(2-methylidenecyclopropyl)benzene

1,2-difluoro-4-(2-methylidenecyclopropyl)benzene (PubChem CID 123284155) has the molecular formula C10H8F2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 1,2-difluoro-4-(2-methylidenecyclopropyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(2-methylidenecyclopropyl)benzene
PubChem CID123284155
Molecular FormulaC10H8F2
Molecular Weight166.17 g/mol
Exact Mass166.06
IUPAC Name1,2-difluoro-4-(2-methylidenecyclopropyl)benzene
SMILESC=C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2/c1-6-4-8(6)7-2-3-9(11)10(12)5-7/h2-3,5,8H,1,4H2
InChIKeyFEVKEWSMYDJTQE-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(2-methylidenecyclopropyl)benzene?
The IUPAC name of 1,2-difluoro-4-(2-methylidenecyclopropyl)benzene (CID 123284155) is 1,2-difluoro-4-(2-methylidenecyclopropyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(2-methylidenecyclopropyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(2-methylidenecyclopropyl)benzene is C=C1CC1c1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-(2-methylidenecyclopropyl)benzene?
The InChIKey is FEVKEWSMYDJTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2/c1-6-4-8(6)7-2-3-9(11)10(12)5-7/h2-3,5,8H,1,4H2.
What are the key properties of 1,2-difluoro-4-(2-methylidenecyclopropyl)benzene?
1,2-difluoro-4-(2-methylidenecyclopropyl)benzene has a molecular weight of 166.17 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(2-methylidenecyclopropyl)benzene is sourced from PubChem (CID 123284155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).