[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol

C8H9F3N2O — CID 106216994

IUPAC[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol
SMILESOCc1cncn1C1(C(F)(F)F)CC1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7(1-2-7)13-5-12-3-6(13)4-14/h3,5,14H,1-2,4H2
InChIKeyOWNBLQCSYZAFJZ-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.43
Rot. Bonds2

About [3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol

[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol (PubChem CID 106216994) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is [3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol.

Molecular Properties

Compound Name[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol
PubChem CID106216994
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol
SMILESOCc1cncn1C1(C(F)(F)F)CC1
InChIInChI=1S/C8H9F3N2O/c9-8(10,11)7(1-2-7)13-5-12-3-6(13)4-14/h3,5,14H,1-2,4H2
InChIKeyOWNBLQCSYZAFJZ-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol?
The IUPAC name of [3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol (CID 106216994) is [3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol.
What is the SMILES notation for [3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol?
The canonical SMILES for [3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol is OCc1cncn1C1(C(F)(F)F)CC1.
What is the InChIKey of [3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol?
The InChIKey is OWNBLQCSYZAFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c9-8(10,11)7(1-2-7)13-5-12-3-6(13)4-14/h3,5,14H,1-2,4H2.
What are the key properties of [3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol?
[3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol has a molecular weight of 206.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(trifluoromethyl)cyclopropyl]imidazol-4-yl]methanol is sourced from PubChem (CID 106216994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).