1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene

C18H16F4 — CID 161277598

IUPAC1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene
SMILESC=Cc1ccccc1F.Fc1ccccc1C1CC1C(F)F
InChIInChI=1S/C10H9F3.C8H7F/c11-9-4-2-1-3-6(9)7-5-8(7)10(12)13;1-2-7-5-3-4-6-8(7)9/h1-4,7-8,10H,5H2;2-6H,1H2
InChIKeyVEQLALURYIACQL-UHFFFAOYSA-N
MW308.32 g/mol
LogP5.66
Rot. Bonds3

About 1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene

1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene (PubChem CID 161277598) has the molecular formula C18H16F4 and a molecular weight of 308.32 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene.

Molecular Properties

Compound Name1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene
PubChem CID161277598
Molecular FormulaC18H16F4
Molecular Weight308.32 g/mol
Exact Mass308.12
IUPAC Name1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene
SMILESC=Cc1ccccc1F.Fc1ccccc1C1CC1C(F)F
InChIInChI=1S/C10H9F3.C8H7F/c11-9-4-2-1-3-6(9)7-5-8(7)10(12)13;1-2-7-5-3-4-6-8(7)9/h1-4,7-8,10H,5H2;2-6H,1H2
InChIKeyVEQLALURYIACQL-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.32
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene?
The IUPAC name of 1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene (CID 161277598) is 1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene.
What is the SMILES notation for 1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene?
The canonical SMILES for 1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene is C=Cc1ccccc1F.Fc1ccccc1C1CC1C(F)F.
What is the InChIKey of 1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene?
The InChIKey is VEQLALURYIACQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3.C8H7F/c11-9-4-2-1-3-6(9)7-5-8(7)10(12)13;1-2-7-5-3-4-6-8(7)9/h1-4,7-8,10H,5H2;2-6H,1H2.
What are the key properties of 1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene?
1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene has a molecular weight of 308.32 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)cyclopropyl]-2-fluorobenzene;1-ethenyl-2-fluorobenzene is sourced from PubChem (CID 161277598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).