1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol

C8H10F2N2O — CID 80605931

IUPAC1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol
SMILESOC(c1cncn1C1CC1)C(F)F
InChIInChI=1S/C8H10F2N2O/c9-8(10)7(13)6-3-11-4-12(6)5-1-2-5/h3-5,7-8,13H,1-2H2
InChIKeyPHDNQSFDOMHJMA-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.52
Rot. Bonds3

About 1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol

1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol (PubChem CID 80605931) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol
PubChem CID80605931
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol
SMILESOC(c1cncn1C1CC1)C(F)F
InChIInChI=1S/C8H10F2N2O/c9-8(10)7(13)6-3-11-4-12(6)5-1-2-5/h3-5,7-8,13H,1-2H2
InChIKeyPHDNQSFDOMHJMA-UHFFFAOYSA-N
XLogP1.52
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol (CID 80605931) is 1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol is OC(c1cncn1C1CC1)C(F)F.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol?
The InChIKey is PHDNQSFDOMHJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c9-8(10)7(13)6-3-11-4-12(6)5-1-2-5/h3-5,7-8,13H,1-2H2.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol?
1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol has a molecular weight of 188.18 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-2,2-difluoroethanol is sourced from PubChem (CID 80605931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).