2,4-diethyl-1-fluorobicyclo[4.1.0]heptane

C11H19F — CID 163906439

IUPAC2,4-diethyl-1-fluorobicyclo[4.1.0]heptane
SMILESCCC1CC(CC)C2(F)CC2C1
InChIInChI=1S/C11H19F/c1-3-8-5-9(4-2)11(12)7-10(11)6-8/h8-10H,3-7H2,1-2H3
InChIKeyQOHQQGFAYUARCQ-UHFFFAOYSA-N
MW170.27 g/mol
LogP3.56
Rot. Bonds2

About 2,4-diethyl-1-fluorobicyclo[4.1.0]heptane

2,4-diethyl-1-fluorobicyclo[4.1.0]heptane (PubChem CID 163906439) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is 2,4-diethyl-1-fluorobicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2,4-diethyl-1-fluorobicyclo[4.1.0]heptane
PubChem CID163906439
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name2,4-diethyl-1-fluorobicyclo[4.1.0]heptane
SMILESCCC1CC(CC)C2(F)CC2C1
InChIInChI=1S/C11H19F/c1-3-8-5-9(4-2)11(12)7-10(11)6-8/h8-10H,3-7H2,1-2H3
InChIKeyQOHQQGFAYUARCQ-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-1-fluorobicyclo[4.1.0]heptane?
The IUPAC name of 2,4-diethyl-1-fluorobicyclo[4.1.0]heptane (CID 163906439) is 2,4-diethyl-1-fluorobicyclo[4.1.0]heptane.
What is the SMILES notation for 2,4-diethyl-1-fluorobicyclo[4.1.0]heptane?
The canonical SMILES for 2,4-diethyl-1-fluorobicyclo[4.1.0]heptane is CCC1CC(CC)C2(F)CC2C1.
What is the InChIKey of 2,4-diethyl-1-fluorobicyclo[4.1.0]heptane?
The InChIKey is QOHQQGFAYUARCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F/c1-3-8-5-9(4-2)11(12)7-10(11)6-8/h8-10H,3-7H2,1-2H3.
What are the key properties of 2,4-diethyl-1-fluorobicyclo[4.1.0]heptane?
2,4-diethyl-1-fluorobicyclo[4.1.0]heptane has a molecular weight of 170.27 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-1-fluorobicyclo[4.1.0]heptane is sourced from PubChem (CID 163906439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).