1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene

C13H16F2 — CID 84723182

IUPAC1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene
SMILESCc1ccccc1C1(C(F)F)CCCC1
InChIInChI=1S/C13H16F2/c1-10-6-2-3-7-11(10)13(12(14)15)8-4-5-9-13/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyWHKJHMJDLAWHBT-UHFFFAOYSA-N
MW210.27 g/mol
LogP4.07
Rot. Bonds2

About 1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene

1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene (PubChem CID 84723182) has the molecular formula C13H16F2 and a molecular weight of 210.27 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene
PubChem CID84723182
Molecular FormulaC13H16F2
Molecular Weight210.27 g/mol
Exact Mass210.12
IUPAC Name1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene
SMILESCc1ccccc1C1(C(F)F)CCCC1
InChIInChI=1S/C13H16F2/c1-10-6-2-3-7-11(10)13(12(14)15)8-4-5-9-13/h2-3,6-7,12H,4-5,8-9H2,1H3
InChIKeyWHKJHMJDLAWHBT-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene?
The IUPAC name of 1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene (CID 84723182) is 1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene.
What is the SMILES notation for 1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene?
The canonical SMILES for 1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene is Cc1ccccc1C1(C(F)F)CCCC1.
What is the InChIKey of 1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene?
The InChIKey is WHKJHMJDLAWHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2/c1-10-6-2-3-7-11(10)13(12(14)15)8-4-5-9-13/h2-3,6-7,12H,4-5,8-9H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene?
1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene has a molecular weight of 210.27 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)cyclopentyl]-2-methylbenzene is sourced from PubChem (CID 84723182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).