N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane

C25H45F10NO2 — CID 162240889

IUPACN-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane
SMILESCC(C)(C)C(F)(F)C(F)(F)C(C)(C)C.CC(C)(C)CC(F)(F)COC(F)(F)COC(F)(F)CNC(C)(C)C
InChIInChI=1S/C15H27F6NO2.C10H18F4/c1-11(2,3)7-13(16,17)9-23-15(20,21)10-24-14(18,19)8-22-12(4,5)6;1-7(2,3)9(11,12)10(13,14)8(4,5)6/h22H,7-10H2,1-6H3;1-6H3
InChIKeyZWRMHROBRMGODD-UHFFFAOYSA-N
MW581.62 g/mol
LogP9.01
Rot. Bonds10

About N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane

N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane (PubChem CID 162240889) has the molecular formula C25H45F10NO2 and a molecular weight of 581.62 g/mol. Its IUPAC name is N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane.

Molecular Properties

Compound NameN-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane
PubChem CID162240889
Molecular FormulaC25H45F10NO2
Molecular Weight581.62 g/mol
Exact Mass581.33
IUPAC NameN-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane
SMILESCC(C)(C)C(F)(F)C(F)(F)C(C)(C)C.CC(C)(C)CC(F)(F)COC(F)(F)COC(F)(F)CNC(C)(C)C
InChIInChI=1S/C15H27F6NO2.C10H18F4/c1-11(2,3)7-13(16,17)9-23-15(20,21)10-24-14(18,19)8-22-12(4,5)6;1-7(2,3)9(11,12)10(13,14)8(4,5)6/h22H,7-10H2,1-6H3;1-6H3
InChIKeyZWRMHROBRMGODD-UHFFFAOYSA-N
XLogP9.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.62
LogP ≤ 59.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane?
The IUPAC name of N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane (CID 162240889) is N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane.
What is the SMILES notation for N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane?
The canonical SMILES for N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane is CC(C)(C)C(F)(F)C(F)(F)C(C)(C)C.CC(C)(C)CC(F)(F)COC(F)(F)COC(F)(F)CNC(C)(C)C.
What is the InChIKey of N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane?
The InChIKey is ZWRMHROBRMGODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F6NO2.C10H18F4/c1-11(2,3)7-13(16,17)9-23-15(20,21)10-24-14(18,19)8-22-12(4,5)6;1-7(2,3)9(11,12)10(13,14)8(4,5)6/h22H,7-10H2,1-6H3;1-6H3.
What are the key properties of N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane?
N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane has a molecular weight of 581.62 g/mol, XLogP of 9.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane is sourced from PubChem (CID 162240889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).