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

C7H9F7 — CID 15044623

IUPAC2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane
SMILESCCCC(F)(F)C(C(F)F)C(F)(F)F
InChIInChI=1S/C7H9F7/c1-2-3-6(10,11)4(5(8)9)7(12,13)14/h4-5H,2-3H2,1H3
InChIKeyUZLWPNVHSYWMBZ-UHFFFAOYSA-N
MW226.13 g/mol
LogP3.87
Rot. Bonds4

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

2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane (PubChem CID 15044623) has the molecular formula C7H9F7 and a molecular weight of 226.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane.

Molecular Properties

Compound Name2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane
PubChem CID15044623
Molecular FormulaC7H9F7
Molecular Weight226.13 g/mol
Exact Mass226.06
IUPAC Name2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane
SMILESCCCC(F)(F)C(C(F)F)C(F)(F)F
InChIInChI=1S/C7H9F7/c1-2-3-6(10,11)4(5(8)9)7(12,13)14/h4-5H,2-3H2,1H3
InChIKeyUZLWPNVHSYWMBZ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane?
The IUPAC name of 2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane (CID 15044623) is 2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane.
What is the SMILES notation for 2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane?
The canonical SMILES for 2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane is CCCC(F)(F)C(C(F)F)C(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane?
The InChIKey is UZLWPNVHSYWMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7/c1-2-3-6(10,11)4(5(8)9)7(12,13)14/h4-5H,2-3H2,1H3.
What are the key properties of 2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane?
2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane has a molecular weight of 226.13 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,1,1,3,3-pentafluorohexane is sourced from PubChem (CID 15044623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).