6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol

C10H19F2NO2 — CID 91490285

IUPAC6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol
SMILESCCNCC1OC(C)(F)C(F)C(O)C1C
InChIInChI=1S/C10H19F2NO2/c1-4-13-5-7-6(2)8(14)9(11)10(3,12)15-7/h6-9,13-14H,4-5H2,1-3H3
InChIKeyFQPCESQNJVMZHO-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.02
Rot. Bonds3

About 6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol

6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol (PubChem CID 91490285) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol.

Molecular Properties

Compound Name6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol
PubChem CID91490285
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol
SMILESCCNCC1OC(C)(F)C(F)C(O)C1C
InChIInChI=1S/C10H19F2NO2/c1-4-13-5-7-6(2)8(14)9(11)10(3,12)15-7/h6-9,13-14H,4-5H2,1-3H3
InChIKeyFQPCESQNJVMZHO-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol?
The IUPAC name of 6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol (CID 91490285) is 6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol.
What is the SMILES notation for 6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol?
The canonical SMILES for 6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol is CCNCC1OC(C)(F)C(F)C(O)C1C.
What is the InChIKey of 6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol?
The InChIKey is FQPCESQNJVMZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-4-13-5-7-6(2)8(14)9(11)10(3,12)15-7/h6-9,13-14H,4-5H2,1-3H3.
What are the key properties of 6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol?
6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol has a molecular weight of 223.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol is sourced from PubChem (CID 91490285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).