2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane

C13H23FO — CID 58625654

IUPAC2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane
SMILESCCCC1C2CCC(C2)C1CCOCF
InChIInChI=1S/C13H23FO/c1-2-3-12-10-4-5-11(8-10)13(12)6-7-15-9-14/h10-13H,2-9H2,1H3
InChIKeyQQLPNABLCLCBLJ-UHFFFAOYSA-N
MW214.32 g/mol
LogP3.78
Rot. Bonds6

About 2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane

2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane (PubChem CID 58625654) has the molecular formula C13H23FO and a molecular weight of 214.32 g/mol. Its IUPAC name is 2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane
PubChem CID58625654
Molecular FormulaC13H23FO
Molecular Weight214.32 g/mol
Exact Mass214.17
IUPAC Name2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane
SMILESCCCC1C2CCC(C2)C1CCOCF
InChIInChI=1S/C13H23FO/c1-2-3-12-10-4-5-11(8-10)13(12)6-7-15-9-14/h10-13H,2-9H2,1H3
InChIKeyQQLPNABLCLCBLJ-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane?
The IUPAC name of 2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane (CID 58625654) is 2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane is CCCC1C2CCC(C2)C1CCOCF.
What is the InChIKey of 2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane?
The InChIKey is QQLPNABLCLCBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FO/c1-2-3-12-10-4-5-11(8-10)13(12)6-7-15-9-14/h10-13H,2-9H2,1H3.
What are the key properties of 2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane?
2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane has a molecular weight of 214.32 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethoxy)ethyl]-3-propylbicyclo[2.2.1]heptane is sourced from PubChem (CID 58625654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).