N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine

C11H21F4NO — CID 55092824

IUPACN-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)OCC(F)(F)C(F)F
InChIInChI=1S/C11H21F4NO/c1-4-5-8(2)16-6-9(3)17-7-11(14,15)10(12)13/h8-10,16H,4-7H2,1-3H3
InChIKeyZMGXUVGBBVVHGJ-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.07
Rot. Bonds9

About N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine

N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine (PubChem CID 55092824) has the molecular formula C11H21F4NO and a molecular weight of 259.29 g/mol. Its IUPAC name is N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine
PubChem CID55092824
Molecular FormulaC11H21F4NO
Molecular Weight259.29 g/mol
Exact Mass259.16
IUPAC NameN-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine
SMILESCCCC(C)NCC(C)OCC(F)(F)C(F)F
InChIInChI=1S/C11H21F4NO/c1-4-5-8(2)16-6-9(3)17-7-11(14,15)10(12)13/h8-10,16H,4-7H2,1-3H3
InChIKeyZMGXUVGBBVVHGJ-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethyl]propan-2-amine
CID 57916980
N-methyl-2-(4,4,4-trifluorobutoxy)butan-1-amine
CID 82792420
N-methyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82959124
2-(4,4-difluoropentoxy)-N-methylpropan-1-amine
CID 91242229
2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 104760288
4-N-(2-ethoxy-3,3,3-trifluoropropyl)cyclohexane-1,4-diamine
CID 123436184
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
CID 141198660
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]butan-1-amine
CID 144800484
4-N-[(2R)-2-ethoxy-3,3,3-trifluoropropyl]cyclohexane-1,4-diamine
CID 147713380
4,4,4-trifluoro-3-methoxy-N-propan-2-ylbutan-1-amine
CID 155139108
2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine
CID 158575551
2,2,4,4-tetrafluoro-N-(2-methoxyethyl)pentan-1-amine
CID 158746367

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine?
The IUPAC name of N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine (CID 55092824) is N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine.
What is the SMILES notation for N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine?
The canonical SMILES for N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine is CCCC(C)NCC(C)OCC(F)(F)C(F)F.
What is the InChIKey of N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine?
The InChIKey is ZMGXUVGBBVVHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F4NO/c1-4-5-8(2)16-6-9(3)17-7-11(14,15)10(12)13/h8-10,16H,4-7H2,1-3H3.
What are the key properties of N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine?
N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine has a molecular weight of 259.29 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine is sourced from PubChem (CID 55092824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).