1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene

C13H16F2 — CID 135292727

IUPAC1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene
SMILESCCC1CC1(CC)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2/c1-3-9-8-13(9,4-2)11-6-5-10(14)7-12(11)15/h5-7,9H,3-4,8H2,1-2H3
InChIKeyROPCLEQBVCILHK-UHFFFAOYSA-N
MW210.27 g/mol
LogP4.04
Rot. Bonds3

About 1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene

1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene (PubChem CID 135292727) has the molecular formula C13H16F2 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene
PubChem CID135292727
Molecular FormulaC13H16F2
Molecular Weight210.27 g/mol
Exact Mass210.12
IUPAC Name1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene
SMILESCCC1CC1(CC)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2/c1-3-9-8-13(9,4-2)11-6-5-10(14)7-12(11)15/h5-7,9H,3-4,8H2,1-2H3
InChIKeyROPCLEQBVCILHK-UHFFFAOYSA-N
XLogP4.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene?
The IUPAC name of 1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene (CID 135292727) is 1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene?
The canonical SMILES for 1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene is CCC1CC1(CC)c1ccc(F)cc1F.
What is the InChIKey of 1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene?
The InChIKey is ROPCLEQBVCILHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2/c1-3-9-8-13(9,4-2)11-6-5-10(14)7-12(11)15/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene?
1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene has a molecular weight of 210.27 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diethylcyclopropyl)-2,4-difluorobenzene is sourced from PubChem (CID 135292727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).