2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol

C9H12F2N2O — CID 164659849

IUPAC2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)CC1CC1(F)F
InChIInChI=1S/C9H12F2N2O/c1-13-5-12-4-7(13)8(14)2-6-3-9(6,10)11/h4-6,8,14H,2-3H2,1H3
InChIKeyTYWLFDMVMNIIMG-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.50
Rot. Bonds3

About 2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol

2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol (PubChem CID 164659849) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol
PubChem CID164659849
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol
SMILESCn1cncc1C(O)CC1CC1(F)F
InChIInChI=1S/C9H12F2N2O/c1-13-5-12-4-7(13)8(14)2-6-3-9(6,10)11/h4-6,8,14H,2-3H2,1H3
InChIKeyTYWLFDMVMNIIMG-UHFFFAOYSA-N
XLogP1.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol (CID 164659849) is 2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol is Cn1cncc1C(O)CC1CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol?
The InChIKey is TYWLFDMVMNIIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-13-5-12-4-7(13)8(14)2-6-3-9(6,10)11/h4-6,8,14H,2-3H2,1H3.
What are the key properties of 2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol?
2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol has a molecular weight of 202.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-1-(3-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 164659849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).