N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C9H16FNO — CID 81106835

IUPACN-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFCCCNC1CC2CCC1O2
InChIInChI=1S/C9H16FNO/c10-4-1-5-11-8-6-7-2-3-9(8)12-7/h7-9,11H,1-6H2
InChIKeyPXKMCICZWWUCLQ-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.26
Rot. Bonds4

About N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 81106835) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID81106835
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFCCCNC1CC2CCC1O2
InChIInChI=1S/C9H16FNO/c10-4-1-5-11-8-6-7-2-3-9(8)12-7/h7-9,11H,1-6H2
InChIKeyPXKMCICZWWUCLQ-UHFFFAOYSA-N
XLogP1.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.26
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)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 81106835) is N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine is FCCCNC1CC2CCC1O2.
What is the InChIKey of N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is PXKMCICZWWUCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-4-1-5-11-8-6-7-2-3-9(8)12-7/h7-9,11H,1-6H2.
What are the key properties of N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 173.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 81106835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).