N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine

C14H26F6N2O2 — CID 138467557

IUPACN-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)(F)OCC(F)(F)OCC(F)(F)NC(C)(C)C
InChIInChI=1S/C14H26F6N2O2/c1-10(2,3)21-7-13(17,18)24-9-14(19,20)23-8-12(15,16)22-11(4,5)6/h21-22H,7-9H2,1-6H3
InChIKeyMZOVVIIRGYWKAG-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.57
Rot. Bonds9

About N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine

N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine (PubChem CID 138467557) has the molecular formula C14H26F6N2O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
PubChem CID138467557
Molecular FormulaC14H26F6N2O2
Molecular Weight368.36 g/mol
Exact Mass368.19
IUPAC NameN-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)(F)OCC(F)(F)OCC(F)(F)NC(C)(C)C
InChIInChI=1S/C14H26F6N2O2/c1-10(2,3)21-7-13(17,18)24-9-14(19,20)23-8-12(15,16)22-11(4,5)6/h21-22H,7-9H2,1-6H3
InChIKeyMZOVVIIRGYWKAG-UHFFFAOYSA-N
XLogP3.57
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.57
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine (CID 138467557) is N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine is CC(C)(C)NCC(F)(F)OCC(F)(F)OCC(F)(F)NC(C)(C)C.
What is the InChIKey of N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine?
The InChIKey is MZOVVIIRGYWKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F6N2O2/c1-10(2,3)21-7-13(17,18)24-9-14(19,20)23-8-12(15,16)22-11(4,5)6/h21-22H,7-9H2,1-6H3.
What are the key properties of N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine?
N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine has a molecular weight of 368.36 g/mol, XLogP of 3.57, 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-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 138467557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).