(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine

C12H10F5N3 — CID 61315339

IUPAC(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCCn1ccnc1C(N)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H10F5N3/c1-2-20-4-3-19-12(20)11(18)5-6(13)8(15)10(17)9(16)7(5)14/h3-4,11H,2,18H2,1H3
InChIKeyKCZVKYIXAHYDII-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.65
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine

(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine (PubChem CID 61315339) has the molecular formula C12H10F5N3 and a molecular weight of 291.22 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
PubChem CID61315339
Molecular FormulaC12H10F5N3
Molecular Weight291.22 g/mol
Exact Mass291.08
IUPAC Name(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
SMILESCCn1ccnc1C(N)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H10F5N3/c1-2-20-4-3-19-12(20)11(18)5-6(13)8(15)10(17)9(16)7(5)14/h3-4,11H,2,18H2,1H3
InChIKeyKCZVKYIXAHYDII-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methyl]hydrazine
CID 105308467
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
(3-bromo-2-fluorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 114020081
(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 82772685
(1-ethylimidazol-2-yl)-(2-methylsulfanylphenyl)methanamine
CID 79206936
(1-ethylimidazol-2-yl)-(4-ethylsulfanylphenyl)methanamine
CID 106848505
(1-ethylimidazol-2-yl)-(thiadiazol-5-yl)methanamine
CID 65215055
1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 79092901
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
(1-ethylimidazol-2-yl)-(6-methoxypyrimidin-4-yl)methanamine
CID 102950568
(3-bromo-5-chlorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 114019284

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
The IUPAC name of (1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine (CID 61315339) is (1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
The canonical SMILES for (1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine is CCn1ccnc1C(N)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
The InChIKey is KCZVKYIXAHYDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5N3/c1-2-20-4-3-19-12(20)11(18)5-6(13)8(15)10(17)9(16)7(5)14/h3-4,11H,2,18H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine?
(1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine has a molecular weight of 291.22 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine is sourced from PubChem (CID 61315339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).