2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane

C9H14F2 — CID 68641749

IUPAC2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane
SMILESCC(F)(F)C1CC2CCC1C2
InChIInChI=1S/C9H14F2/c1-9(10,11)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3
InChIKeySFJXPIUUDISRHP-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.08
Rot. Bonds1

About 2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane

2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane (PubChem CID 68641749) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane
PubChem CID68641749
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane
SMILESCC(F)(F)C1CC2CCC1C2
InChIInChI=1S/C9H14F2/c1-9(10,11)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3
InChIKeySFJXPIUUDISRHP-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane (CID 68641749) is 2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane is CC(F)(F)C1CC2CCC1C2.
What is the InChIKey of 2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane?
The InChIKey is SFJXPIUUDISRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-9(10,11)8-5-6-2-3-7(8)4-6/h6-8H,2-5H2,1H3.
What are the key properties of 2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane?
2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane has a molecular weight of 160.21 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 68641749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).