2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine

C9H10F11NO — CID 118346576

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine
SMILESCCCNCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F11NO/c1-2-3-21-4-5(10,7(13,14)15)22-9(19,20)6(11,12)8(16,17)18/h21H,2-4H2,1H3
InChIKeySOGOKHWKKYYHDT-UHFFFAOYSA-N
MW357.16 g/mol
LogP4.02
Rot. Bonds7

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine (PubChem CID 118346576) has the molecular formula C9H10F11NO and a molecular weight of 357.16 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine
PubChem CID118346576
Molecular FormulaC9H10F11NO
Molecular Weight357.16 g/mol
Exact Mass357.06
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine
SMILESCCCNCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F11NO/c1-2-3-21-4-5(10,7(13,14)15)22-9(19,20)6(11,12)8(16,17)18/h21H,2-4H2,1H3
InChIKeySOGOKHWKKYYHDT-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Methoxyethyl)(3,3,3-trifluoropropyl)amine
CID 59028600
2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
CID 60690622
2,2,2-trifluoro-N-(2-propoxyethyl)ethanamine
CID 62582651
N,N'-bis[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propyl]ethane-1,2-diamine
CID 118344747
2,2-difluoro-N-(2-methoxyethyl)propan-1-amine
CID 131050605
N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine
CID 138604544
2,2,6-Trifluoro-6-methylmorpholine
CID 159594623
N'-[2-(1,1-difluoropropoxy)-2,3,3,3-tetrafluoropropyl]butane-1,4-diamine
CID 161273519
N-ethyl-2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethanamine
CID 163724189
3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine
CID 168927414
ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
CID 176665498
N-ethyl-2-(1,1,2,2,2-pentafluoroethoxy)ethanamine
CID 12046719

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine (CID 118346576) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine is CCCNCC(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine?
The InChIKey is SOGOKHWKKYYHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F11NO/c1-2-3-21-4-5(10,7(13,14)15)22-9(19,20)6(11,12)8(16,17)18/h21H,2-4H2,1H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine?
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine has a molecular weight of 357.16 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-propylpropan-1-amine is sourced from PubChem (CID 118346576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).