N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C12H22FNO — CID 115906504

IUPACN-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCCCF)C2CCCOC21
InChIInChI=1S/C12H22FNO/c1-12(2)10(14-7-4-6-13)9-5-3-8-15-11(9)12/h9-11,14H,3-8H2,1-2H3
InChIKeyCLZCQFQQYKDJEV-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.14
Rot. Bonds4

About N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 115906504) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID115906504
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC NameN-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCCCF)C2CCCOC21
InChIInChI=1S/C12H22FNO/c1-12(2)10(14-7-4-6-13)9-5-3-8-15-11(9)12/h9-11,14H,3-8H2,1-2H3
InChIKeyCLZCQFQQYKDJEV-UHFFFAOYSA-N
XLogP2.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 115906504) is N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(NCCCF)C2CCCOC21.
What is the InChIKey of N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is CLZCQFQQYKDJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-12(2)10(14-7-4-6-13)9-5-3-8-15-11(9)12/h9-11,14H,3-8H2,1-2H3.
What are the key properties of N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 215.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 115906504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).