2-cyclopropyl-1-fluoro-3,5-dimethylbenzene

C11H13F — CID 165138654

IUPAC2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
SMILESCc1cc(C)c(C2CC2)c(F)c1
InChIInChI=1S/C11H13F/c1-7-5-8(2)11(9-3-4-9)10(12)6-7/h5-6,9H,3-4H2,1-2H3
InChIKeyCLEOIHYEWWBBQV-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.32
Rot. Bonds1

About 2-cyclopropyl-1-fluoro-3,5-dimethylbenzene

2-cyclopropyl-1-fluoro-3,5-dimethylbenzene (PubChem CID 165138654) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is 2-cyclopropyl-1-fluoro-3,5-dimethylbenzene.

Molecular Properties

Compound Name2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
PubChem CID165138654
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name2-cyclopropyl-1-fluoro-3,5-dimethylbenzene
SMILESCc1cc(C)c(C2CC2)c(F)c1
InChIInChI=1S/C11H13F/c1-7-5-8(2)11(9-3-4-9)10(12)6-7/h5-6,9H,3-4H2,1-2H3
InChIKeyCLEOIHYEWWBBQV-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-fluoro-3,5-dimethylbenzene?
The IUPAC name of 2-cyclopropyl-1-fluoro-3,5-dimethylbenzene (CID 165138654) is 2-cyclopropyl-1-fluoro-3,5-dimethylbenzene.
What is the SMILES notation for 2-cyclopropyl-1-fluoro-3,5-dimethylbenzene?
The canonical SMILES for 2-cyclopropyl-1-fluoro-3,5-dimethylbenzene is Cc1cc(C)c(C2CC2)c(F)c1.
What is the InChIKey of 2-cyclopropyl-1-fluoro-3,5-dimethylbenzene?
The InChIKey is CLEOIHYEWWBBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F/c1-7-5-8(2)11(9-3-4-9)10(12)6-7/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-fluoro-3,5-dimethylbenzene?
2-cyclopropyl-1-fluoro-3,5-dimethylbenzene has a molecular weight of 164.22 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-fluoro-3,5-dimethylbenzene is sourced from PubChem (CID 165138654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).