(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol

C12H12F2N2O — CID 61314221

IUPAC(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N2O/c1-2-16-6-5-15-12(16)11(17)8-3-4-9(13)10(14)7-8/h3-7,11,17H,2H2,1H3
InChIKeyCEGUNTOIXILYFT-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.26
Rot. Bonds3

About (3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol

(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol (PubChem CID 61314221) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
PubChem CID61314221
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N2O/c1-2-16-6-5-15-12(16)11(17)8-3-4-9(13)10(14)7-8/h3-7,11,17H,2H2,1H3
InChIKeyCEGUNTOIXILYFT-UHFFFAOYSA-N
XLogP2.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol?
The IUPAC name of (3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol (CID 61314221) is (3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol.
What is the SMILES notation for (3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol?
The canonical SMILES for (3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol is CCn1ccnc1C(O)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol?
The InChIKey is CEGUNTOIXILYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-2-16-6-5-15-12(16)11(17)8-3-4-9(13)10(14)7-8/h3-7,11,17H,2H2,1H3.
What are the key properties of (3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol?
(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol has a molecular weight of 238.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol is sourced from PubChem (CID 61314221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).