1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol

C9H11F3N2O — CID 67401011

IUPAC1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol
SMILESOC(c1cncn1CC1CC1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8(15)7-3-13-5-14(7)4-6-1-2-6/h3,5-6,8,15H,1-2,4H2
InChIKeyVNFQSLWXJYFWQV-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.89
Rot. Bonds3

About 1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol

1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol (PubChem CID 67401011) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol
PubChem CID67401011
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol
SMILESOC(c1cncn1CC1CC1)C(F)(F)F
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)8(15)7-3-13-5-14(7)4-6-1-2-6/h3,5-6,8,15H,1-2,4H2
InChIKeyVNFQSLWXJYFWQV-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol (CID 67401011) is 1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol is OC(c1cncn1CC1CC1)C(F)(F)F.
What is the InChIKey of 1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol?
The InChIKey is VNFQSLWXJYFWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)8(15)7-3-13-5-14(7)4-6-1-2-6/h3,5-6,8,15H,1-2,4H2.
What are the key properties of 1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol?
1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol has a molecular weight of 220.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethyl)imidazol-4-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 67401011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).