4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine

C8H14ClF2NO — CID 106299797

IUPAC4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine
SMILESFC(F)CNC1(CCl)CCOCC1
InChIInChI=1S/C8H14ClF2NO/c9-6-8(12-5-7(10)11)1-3-13-4-2-8/h7,12H,1-6H2
InChIKeyXLWBMXZMWPZQKI-UHFFFAOYSA-N
MW213.65 g/mol
LogP1.63
Rot. Bonds4

About 4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine

4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine (PubChem CID 106299797) has the molecular formula C8H14ClF2NO and a molecular weight of 213.65 g/mol. Its IUPAC name is 4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine
PubChem CID106299797
Molecular FormulaC8H14ClF2NO
Molecular Weight213.65 g/mol
Exact Mass213.07
IUPAC Name4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine
SMILESFC(F)CNC1(CCl)CCOCC1
InChIInChI=1S/C8H14ClF2NO/c9-6-8(12-5-7(10)11)1-3-13-4-2-8/h7,12H,1-6H2
InChIKeyXLWBMXZMWPZQKI-UHFFFAOYSA-N
XLogP1.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.65
LogP ≤ 51.63
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-(2,2-difluoroethyl)oxan-4-amine?
The IUPAC name of 4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine (CID 106299797) is 4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine.
What is the SMILES notation for 4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine?
The canonical SMILES for 4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine is FC(F)CNC1(CCl)CCOCC1.
What is the InChIKey of 4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine?
The InChIKey is XLWBMXZMWPZQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO/c9-6-8(12-5-7(10)11)1-3-13-4-2-8/h7,12H,1-6H2.
What are the key properties of 4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine?
4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine has a molecular weight of 213.65 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N-(2,2-difluoroethyl)oxan-4-amine is sourced from PubChem (CID 106299797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).