1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine

C10H16F3N3 — CID 106721010

IUPAC1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCCC(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3/c1-8(14)5-9-6-16(7-15-9)4-2-3-10(11,12)13/h6-8H,2-5,14H2,1H3
InChIKeyRVSVFFPHOHMSFQ-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.12
Rot. Bonds5

About 1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine

1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine (PubChem CID 106721010) has the molecular formula C10H16F3N3 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine
PubChem CID106721010
Molecular FormulaC10H16F3N3
Molecular Weight235.25 g/mol
Exact Mass235.13
IUPAC Name1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(CCCC(F)(F)F)cn1
InChIInChI=1S/C10H16F3N3/c1-8(14)5-9-6-16(7-15-9)4-2-3-10(11,12)13/h6-8H,2-5,14H2,1H3
InChIKeyRVSVFFPHOHMSFQ-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-4-yl]propan-2-amine
CID 106721209
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721198
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
4-[4-(2-aminopropyl)imidazol-1-yl]butanenitrile
CID 106721187
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
1-[1-(2-methylsulfonylethyl)imidazol-4-yl]propan-2-amine
CID 106721170
1-[1-(2-phenoxyethyl)imidazol-4-yl]propan-2-amine
CID 106721144
1-[1-[2-(2-methoxyphenoxy)ethyl]imidazol-4-yl]propan-2-amine
CID 106721116
1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721026
1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721205
1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106721122
1-[1-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-2-amine
CID 106721204

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine (CID 106721010) is 1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine is CC(N)Cc1cn(CCCC(F)(F)F)cn1.
What is the InChIKey of 1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine?
The InChIKey is RVSVFFPHOHMSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3/c1-8(14)5-9-6-16(7-15-9)4-2-3-10(11,12)13/h6-8H,2-5,14H2,1H3.
What are the key properties of 1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine?
1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine has a molecular weight of 235.25 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4,4,4-trifluorobutyl)imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).