N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine

C12H19F4N3O — CID 103475947

IUPACN-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)c1nccn1C
InChIInChI=1S/C12H19F4N3O/c1-3-4-17-9(10-18-5-6-19(10)2)7-20-8-12(15,16)11(13)14/h5-6,9,11,17H,3-4,7-8H2,1-2H3
InChIKeyHEXILVULKOJUJP-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.38
Rot. Bonds9

About N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine

N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (PubChem CID 103475947) has the molecular formula C12H19F4N3O and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
PubChem CID103475947
Molecular FormulaC12H19F4N3O
Molecular Weight297.30 g/mol
Exact Mass297.15
IUPAC NameN-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine
SMILESCCCNC(COCC(F)(F)C(F)F)c1nccn1C
InChIInChI=1S/C12H19F4N3O/c1-3-4-17-9(10-18-5-6-19(10)2)7-20-8-12(15,16)11(13)14/h5-6,9,11,17H,3-4,7-8H2,1-2H3
InChIKeyHEXILVULKOJUJP-UHFFFAOYSA-N
XLogP2.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475583
1-(1-methylimidazol-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148770
3-ethoxy-1-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 105149514
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
3-methyl-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 63974740
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541
N-[2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63975595
N-[1-(1-ethylimidazol-2-yl)-2-methoxyethyl]propan-1-amine
CID 63967707
N-[2-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63974744
N-ethyl-1-(1-methylpyrazol-3-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475844
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148700
2-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)-N-propylbutan-1-amine
CID 116761341

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine (CID 103475947) is N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is CCCNC(COCC(F)(F)C(F)F)c1nccn1C.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
The InChIKey is HEXILVULKOJUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4N3O/c1-3-4-17-9(10-18-5-6-19(10)2)7-20-8-12(15,16)11(13)14/h5-6,9,11,17H,3-4,7-8H2,1-2H3.
What are the key properties of N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine?
N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine has a molecular weight of 297.30 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103475947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).