1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane

C6H5F7 — CID 10727137

IUPAC1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane
SMILESFC(F)C1(F)CCC(F)(F)C1(F)F
InChIInChI=1S/C6H5F7/c7-3(8)4(9)1-2-5(10,11)6(4,12)13/h3H,1-2H2
InChIKeySBMITPKSXWRUHS-UHFFFAOYSA-N
MW210.09 g/mol
LogP3.02
Rot. Bonds1

About 1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane

1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane (PubChem CID 10727137) has the molecular formula C6H5F7 and a molecular weight of 210.09 g/mol. Its IUPAC name is 1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane.

Molecular Properties

Compound Name1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane
PubChem CID10727137
Molecular FormulaC6H5F7
Molecular Weight210.09 g/mol
Exact Mass210.03
IUPAC Name1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane
SMILESFC(F)C1(F)CCC(F)(F)C1(F)F
InChIInChI=1S/C6H5F7/c7-3(8)4(9)1-2-5(10,11)6(4,12)13/h3H,1-2H2
InChIKeySBMITPKSXWRUHS-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane?
The IUPAC name of 1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane (CID 10727137) is 1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane.
What is the SMILES notation for 1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane?
The canonical SMILES for 1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane is FC(F)C1(F)CCC(F)(F)C1(F)F.
What is the InChIKey of 1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane?
The InChIKey is SBMITPKSXWRUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7/c7-3(8)4(9)1-2-5(10,11)6(4,12)13/h3H,1-2H2.
What are the key properties of 1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane?
1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane has a molecular weight of 210.09 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-1,2,2,3,3-pentafluorocyclopentane is sourced from PubChem (CID 10727137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).