2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol

C8H12F3N3O — CID 79737849

IUPAC2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCn1ccnc1CC(O)(CN)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-14-3-2-13-6(14)4-7(15,5-12)8(9,10)11/h2-3,15H,4-5,12H2,1H3
InChIKeyFVUDXDKFCRQDPD-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.21
Rot. Bonds3

About 2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol

2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol (PubChem CID 79737849) has the molecular formula C8H12F3N3O and a molecular weight of 223.20 g/mol. Its IUPAC name is 2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol
PubChem CID79737849
Molecular FormulaC8H12F3N3O
Molecular Weight223.20 g/mol
Exact Mass223.09
IUPAC Name2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCn1ccnc1CC(O)(CN)C(F)(F)F
InChIInChI=1S/C8H12F3N3O/c1-14-3-2-13-6(14)4-7(15,5-12)8(9,10)11/h2-3,15H,4-5,12H2,1H3
InChIKeyFVUDXDKFCRQDPD-UHFFFAOYSA-N
XLogP0.21
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 175409591
1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79744678
4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
CID 114865873
1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 114832719
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
2-(fluoromethyl)-1-methylimidazole
CID 11679811
4-(aminomethyl)-4-ethyl-1-(1-methylimidazol-2-yl)hexan-3-one
CID 114533351
2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol
CID 101390378
2-fluoro-4-(1-methylimidazol-2-yl)butan-1-amine
CID 114533122
3-(1-methylimidazol-2-yl)propan-1-ol;trifluoromethanesulfonic acid
CID 174876440

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol?
The IUPAC name of 2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol (CID 79737849) is 2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol is Cn1ccnc1CC(O)(CN)C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol?
The InChIKey is FVUDXDKFCRQDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3O/c1-14-3-2-13-6(14)4-7(15,5-12)8(9,10)11/h2-3,15H,4-5,12H2,1H3.
What are the key properties of 2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol?
2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol has a molecular weight of 223.20 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79737849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).