4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine

C8H12F3N3 — CID 79952736

IUPAC4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
SMILESCn1ccnc1C(N)CCC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-14-5-4-13-7(14)6(12)2-3-8(9,10)11/h4-6H,2-3,12H2,1H3
InChIKeyBVFBDQQPXXKUNM-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.76
Rot. Bonds3

About 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine

4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine (PubChem CID 79952736) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
PubChem CID79952736
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine
SMILESCn1ccnc1C(N)CCC(F)(F)F
InChIInChI=1S/C8H12F3N3/c1-14-5-4-13-7(14)6(12)2-3-8(9,10)11/h4-6H,2-3,12H2,1H3
InChIKeyBVFBDQQPXXKUNM-UHFFFAOYSA-N
XLogP1.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol
CID 79954074
1-(1-methylimidazol-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215332
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
1-(1-methylimidazol-2-yl)hex-4-yn-1-amine
CID 104807136
4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
3-ethyl-1-(1-methylimidazol-2-yl)pentan-1-amine
CID 82922287
2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63975383
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
1-(1-methylimidazol-2-yl)-3-pyridin-3-ylpropan-1-amine
CID 105149668
(1S)-1-(1-methylimidazol-2-yl)ethanamine;dihydrochloride
CID 162341662
1-(1-methylimidazol-2-yl)propan-1-amine;nitric acid
CID 172745142
methyl (3R)-3-amino-3-(1-methylimidazol-2-yl)propanoate
CID 165494326

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine (CID 79952736) is 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine is Cn1ccnc1C(N)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine?
The InChIKey is BVFBDQQPXXKUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-14-5-4-13-7(14)6(12)2-3-8(9,10)11/h4-6H,2-3,12H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine?
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine has a molecular weight of 207.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 79952736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).