N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine

C9H16F6N2O2 — CID 177011123

IUPACN-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine
SMILESCC(C)NCC(F)(F)OCC(F)(F)OCC(N)(F)F
InChIInChI=1S/C9H16F6N2O2/c1-6(2)17-3-8(12,13)19-5-9(14,15)18-4-7(10,11)16/h6,17H,3-5,16H2,1-2H3
InChIKeyBCWADMQSPDKASE-UHFFFAOYSA-N
MW298.23 g/mol
LogP1.75
Rot. Bonds9

About N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine

N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine (PubChem CID 177011123) has the molecular formula C9H16F6N2O2 and a molecular weight of 298.23 g/mol. Its IUPAC name is N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine
PubChem CID177011123
Molecular FormulaC9H16F6N2O2
Molecular Weight298.23 g/mol
Exact Mass298.11
IUPAC NameN-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine
SMILESCC(C)NCC(F)(F)OCC(F)(F)OCC(N)(F)F
InChIInChI=1S/C9H16F6N2O2/c1-6(2)17-3-8(12,13)19-5-9(14,15)18-4-7(10,11)16/h6,17H,3-5,16H2,1-2H3
InChIKeyBCWADMQSPDKASE-UHFFFAOYSA-N
XLogP1.75
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine (CID 177011123) is N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine is CC(C)NCC(F)(F)OCC(F)(F)OCC(N)(F)F.
What is the InChIKey of N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine?
The InChIKey is BCWADMQSPDKASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F6N2O2/c1-6(2)17-3-8(12,13)19-5-9(14,15)18-4-7(10,11)16/h6,17H,3-5,16H2,1-2H3.
What are the key properties of N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine?
N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine has a molecular weight of 298.23 g/mol, XLogP of 1.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-amino-2,2-difluoroethoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]propan-2-amine is sourced from PubChem (CID 177011123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).