2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine

C9H13F4N3 — CID 106291716

IUPAC2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1CC(F)(F)C(F)F
InChIInChI=1S/C9H13F4N3/c1-8(2,14)6-3-15-5-16(6)4-9(12,13)7(10)11/h3,5,7H,4,14H2,1-2H3
InChIKeyBSTAEMXGXIHJAO-UHFFFAOYSA-N
MW239.22 g/mol
LogP1.98
Rot. Bonds4

About 2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine

2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine (PubChem CID 106291716) has the molecular formula C9H13F4N3 and a molecular weight of 239.22 g/mol. Its IUPAC name is 2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine
PubChem CID106291716
Molecular FormulaC9H13F4N3
Molecular Weight239.22 g/mol
Exact Mass239.10
IUPAC Name2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine
SMILESCC(C)(N)c1cncn1CC(F)(F)C(F)F
InChIInChI=1S/C9H13F4N3/c1-8(2,14)6-3-15-5-16(6)4-9(12,13)7(10)11/h3,5,7H,4,14H2,1-2H3
InChIKeyBSTAEMXGXIHJAO-UHFFFAOYSA-N
XLogP1.98
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(5-tert-butylimidazol-1-yl)-2,2-difluoropropan-1-amine
CID 114384603
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
2-[3-(2-methylsulfinylethyl)imidazol-4-yl]propan-2-amine
CID 114707669
N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine
CID 106294312
2-[3-(2-methylprop-2-enyl)imidazol-4-yl]propan-2-amine
CID 114707859
2-[3-(3-methylsulfonylpropyl)imidazol-4-yl]propan-2-amine
CID 114704632
2-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]propan-2-amine
CID 114706508
5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole
CID 106291736
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 114703081
1-[[5-(2-aminopropan-2-yl)imidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105421223
2-[3-(3-imidazol-1-ylpropyl)imidazol-4-yl]propan-2-amine
CID 114702568
2-[3-(1,2,4-oxadiazol-3-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106410323

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine (CID 106291716) is 2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine is CC(C)(N)c1cncn1CC(F)(F)C(F)F.
What is the InChIKey of 2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine?
The InChIKey is BSTAEMXGXIHJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4N3/c1-8(2,14)6-3-15-5-16(6)4-9(12,13)7(10)11/h3,5,7H,4,14H2,1-2H3.
What are the key properties of 2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine?
2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine has a molecular weight of 239.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106291716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).