4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine

C9H17ClFNO — CID 106299759

IUPAC4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine
SMILESFCCCNC1(CCl)CCOCC1
InChIInChI=1S/C9H17ClFNO/c10-8-9(12-5-1-4-11)2-6-13-7-3-9/h12H,1-8H2
InChIKeyXCVMPOHZYKBHDR-UHFFFAOYSA-N
MW209.69 g/mol
LogP1.72
Rot. Bonds5

About 4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine

4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine (PubChem CID 106299759) has the molecular formula C9H17ClFNO and a molecular weight of 209.69 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine
PubChem CID106299759
Molecular FormulaC9H17ClFNO
Molecular Weight209.69 g/mol
Exact Mass209.10
IUPAC Name4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine
SMILESFCCCNC1(CCl)CCOCC1
InChIInChI=1S/C9H17ClFNO/c10-8-9(12-5-1-4-11)2-6-13-7-3-9/h12H,1-8H2
InChIKeyXCVMPOHZYKBHDR-UHFFFAOYSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.69
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine (CID 106299759) is 4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine is FCCCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine?
The InChIKey is XCVMPOHZYKBHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClFNO/c10-8-9(12-5-1-4-11)2-6-13-7-3-9/h12H,1-8H2.
What are the key properties of 4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine?
4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine has a molecular weight of 209.69 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(3-fluoropropyl)oxan-4-amine is sourced from PubChem (CID 106299759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).