6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine

C10H18F2N2O — CID 142537454

IUPAC6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine
SMILESC=CC1(C)OC(C(N)C(F)F)CCC1N
InChIInChI=1S/C10H18F2N2O/c1-3-10(2)7(13)5-4-6(15-10)8(14)9(11)12/h3,6-9H,1,4-5,13-14H2,2H3
InChIKeyRFTBHQZFTXTTOX-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.03
Rot. Bonds3

About 6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine

6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine (PubChem CID 142537454) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine.

Molecular Properties

Compound Name6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine
PubChem CID142537454
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine
SMILESC=CC1(C)OC(C(N)C(F)F)CCC1N
InChIInChI=1S/C10H18F2N2O/c1-3-10(2)7(13)5-4-6(15-10)8(14)9(11)12/h3,6-9H,1,4-5,13-14H2,2H3
InChIKeyRFTBHQZFTXTTOX-UHFFFAOYSA-N
XLogP1.03
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine?
The IUPAC name of 6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine (CID 142537454) is 6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine.
What is the SMILES notation for 6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine?
The canonical SMILES for 6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine is C=CC1(C)OC(C(N)C(F)F)CCC1N.
What is the InChIKey of 6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine?
The InChIKey is RFTBHQZFTXTTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-3-10(2)7(13)5-4-6(15-10)8(14)9(11)12/h3,6-9H,1,4-5,13-14H2,2H3.
What are the key properties of 6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine?
6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine has a molecular weight of 220.26 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2,2-difluoroethyl)-2-ethenyl-2-methyloxan-3-amine is sourced from PubChem (CID 142537454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).