4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine

C8H15ClFNO — CID 106300011

IUPAC4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine
SMILESFCCNC1(CCl)CCOCC1
InChIInChI=1S/C8H15ClFNO/c9-7-8(11-4-3-10)1-5-12-6-2-8/h11H,1-7H2
InChIKeyVTNNUCDMZOPYLL-UHFFFAOYSA-N
MW195.66 g/mol
LogP1.33
Rot. Bonds4

About 4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine

4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine (PubChem CID 106300011) has the molecular formula C8H15ClFNO and a molecular weight of 195.66 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine
PubChem CID106300011
Molecular FormulaC8H15ClFNO
Molecular Weight195.66 g/mol
Exact Mass195.08
IUPAC Name4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine
SMILESFCCNC1(CCl)CCOCC1
InChIInChI=1S/C8H15ClFNO/c9-7-8(11-4-3-10)1-5-12-6-2-8/h11H,1-7H2
InChIKeyVTNNUCDMZOPYLL-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.66
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine (CID 106300011) is 4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine is FCCNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine?
The InChIKey is VTNNUCDMZOPYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClFNO/c9-7-8(11-4-3-10)1-5-12-6-2-8/h11H,1-7H2.
What are the key properties of 4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine?
4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine has a molecular weight of 195.66 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2-fluoroethyl)oxan-4-amine is sourced from PubChem (CID 106300011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).