2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane

C6H5F9 — CID 15044594

IUPAC2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane
SMILESFC(F)C(F)C(F)C(C(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9/c7-2(3(8)5(11)12)1(4(9)10)6(13,14)15/h1-5H
InChIKeyAWOQCVYHJNHOFQ-UHFFFAOYSA-N
MW248.09 g/mol
LogP3.37
Rot. Bonds4

About 2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane

2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane (PubChem CID 15044594) has the molecular formula C6H5F9 and a molecular weight of 248.09 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane
PubChem CID15044594
Molecular FormulaC6H5F9
Molecular Weight248.09 g/mol
Exact Mass248.02
IUPAC Name2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane
SMILESFC(F)C(F)C(F)C(C(F)F)C(F)(F)F
InChIInChI=1S/C6H5F9/c7-2(3(8)5(11)12)1(4(9)10)6(13,14)15/h1-5H
InChIKeyAWOQCVYHJNHOFQ-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.09
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane?
The IUPAC name of 2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane (CID 15044594) is 2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane is FC(F)C(F)C(F)C(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane?
The InChIKey is AWOQCVYHJNHOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F9/c7-2(3(8)5(11)12)1(4(9)10)6(13,14)15/h1-5H.
What are the key properties of 2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane?
2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane has a molecular weight of 248.09 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,3,4,5,5-heptafluoropentane is sourced from PubChem (CID 15044594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).