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

C10H15F4N3 — CID 106294312

IUPACN-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CC(F)(F)C(F)F
InChIInChI=1S/C10H15F4N3/c1-7(2)16-4-8-3-15-6-17(8)5-10(13,14)9(11)12/h3,6-7,9,16H,4-5H2,1-2H3
InChIKeyPGOREBQAWFRYDZ-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.28
Rot. Bonds6

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

N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 106294312) has the molecular formula C10H15F4N3 and a molecular weight of 253.24 g/mol. Its IUPAC name is N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID106294312
Molecular FormulaC10H15F4N3
Molecular Weight253.24 g/mol
Exact Mass253.12
IUPAC NameN-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncn1CC(F)(F)C(F)F
InChIInChI=1S/C10H15F4N3/c1-7(2)16-4-8-3-15-6-17(8)5-10(13,14)9(11)12/h3,6-7,9,16H,4-5H2,1-2H3
InChIKeyPGOREBQAWFRYDZ-UHFFFAOYSA-N
XLogP2.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.28
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

N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151819
N-[[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]methyl]propan-2-amine
CID 114129927
N-[[3-(2-piperidin-1-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66152169
2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]propan-2-amine
CID 106291716
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146724
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147976
N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66147990
N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151382
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
N-[[3-[(4-methylcyclohexyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66150150
4-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butanamide
CID 66146111

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine (CID 106294312) is N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cncn1CC(F)(F)C(F)F.
What is the InChIKey of N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is PGOREBQAWFRYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F4N3/c1-7(2)16-4-8-3-15-6-17(8)5-10(13,14)9(11)12/h3,6-7,9,16H,4-5H2,1-2H3.
What are the key properties of N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 253.24 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106294312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).