3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole

C9H15F3N2 — CID 167472695

IUPAC3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole
SMILESCCN1CN(C(C)C)C=C1C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-4-13-6-14(7(2)3)5-8(13)9(10,11)12/h5,7H,4,6H2,1-3H3
InChIKeyBTRSHFVAEWSWON-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.39
Rot. Bonds2

About 3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole

3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole (PubChem CID 167472695) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole.

Molecular Properties

Compound Name3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole
PubChem CID167472695
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole
SMILESCCN1CN(C(C)C)C=C1C(F)(F)F
InChIInChI=1S/C9H15F3N2/c1-4-13-6-14(7(2)3)5-8(13)9(10,11)12/h5,7H,4,6H2,1-3H3
InChIKeyBTRSHFVAEWSWON-UHFFFAOYSA-N
XLogP2.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole?
The IUPAC name of 3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole (CID 167472695) is 3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole.
What is the SMILES notation for 3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole?
The canonical SMILES for 3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole is CCN1CN(C(C)C)C=C1C(F)(F)F.
What is the InChIKey of 3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole?
The InChIKey is BTRSHFVAEWSWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c1-4-13-6-14(7(2)3)5-8(13)9(10,11)12/h5,7H,4,6H2,1-3H3.
What are the key properties of 3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole?
3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole has a molecular weight of 208.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-yl-4-(trifluoromethyl)-2H-imidazole is sourced from PubChem (CID 167472695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).