N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C11H20FNO — CID 130478144

IUPACN-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCCF)C2CCCOC21
InChIInChI=1S/C11H20FNO/c1-11(2)9(13-6-5-12)8-4-3-7-14-10(8)11/h8-10,13H,3-7H2,1-2H3
InChIKeySKFBIGAEAAZJHX-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.75
Rot. Bonds3

About N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 130478144) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID130478144
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC NameN-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCCF)C2CCCOC21
InChIInChI=1S/C11H20FNO/c1-11(2)9(13-6-5-12)8-4-3-7-14-10(8)11/h8-10,13H,3-7H2,1-2H3
InChIKeySKFBIGAEAAZJHX-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 130478144) is N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(NCCF)C2CCCOC21.
What is the InChIKey of N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is SKFBIGAEAAZJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(2)9(13-6-5-12)8-4-3-7-14-10(8)11/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 201.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 130478144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).