difluoromethylcycloheptane

C8H14F2 — CID 54028758

IUPACdifluoromethylcycloheptane
SMILESFC(F)C1CCCCCC1
InChIInChI=1S/C8H14F2/c9-8(10)7-5-3-1-2-4-6-7/h7-8H,1-6H2
InChIKeyVKTXUZKKAZCGNA-UHFFFAOYSA-N
MW148.20 g/mol
LogP3.22
Rot. Bonds1

About difluoromethylcycloheptane

difluoromethylcycloheptane (PubChem CID 54028758) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is difluoromethylcycloheptane.

Molecular Properties

Compound Namedifluoromethylcycloheptane
PubChem CID54028758
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Namedifluoromethylcycloheptane
SMILESFC(F)C1CCCCCC1
InChIInChI=1S/C8H14F2/c9-8(10)7-5-3-1-2-4-6-7/h7-8H,1-6H2
InChIKeyVKTXUZKKAZCGNA-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of difluoromethylcycloheptane?
The IUPAC name of difluoromethylcycloheptane (CID 54028758) is difluoromethylcycloheptane.
What is the SMILES notation for difluoromethylcycloheptane?
The canonical SMILES for difluoromethylcycloheptane is FC(F)C1CCCCCC1.
What is the InChIKey of difluoromethylcycloheptane?
The InChIKey is VKTXUZKKAZCGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c9-8(10)7-5-3-1-2-4-6-7/h7-8H,1-6H2.
What are the key properties of difluoromethylcycloheptane?
difluoromethylcycloheptane has a molecular weight of 148.20 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylcycloheptane is sourced from PubChem (CID 54028758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).