[2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol

C12H9F5N2O — CID 172586154

IUPAC[2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
SMILESCn1cc(C(F)(F)F)nc1-c1cc(F)c(CO)cc1F
InChIInChI=1S/C12H9F5N2O/c1-19-4-10(12(15,16)17)18-11(19)7-3-8(13)6(5-20)2-9(7)14/h2-4,20H,5H2,1H3
InChIKeyPCNNUXFMKNUSFP-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.88
Rot. Bonds2

About [2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol

[2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (PubChem CID 172586154) has the molecular formula C12H9F5N2O and a molecular weight of 292.21 g/mol. Its IUPAC name is [2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.

Molecular Properties

Compound Name[2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
PubChem CID172586154
Molecular FormulaC12H9F5N2O
Molecular Weight292.21 g/mol
Exact Mass292.06
IUPAC Name[2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol
SMILESCn1cc(C(F)(F)F)nc1-c1cc(F)c(CO)cc1F
InChIInChI=1S/C12H9F5N2O/c1-19-4-10(12(15,16)17)18-11(19)7-3-8(13)6(5-20)2-9(7)14/h2-4,20H,5H2,1H3
InChIKeyPCNNUXFMKNUSFP-UHFFFAOYSA-N
XLogP2.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The IUPAC name of [2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol (CID 172586154) is [2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol.
What is the SMILES notation for [2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The canonical SMILES for [2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is Cn1cc(C(F)(F)F)nc1-c1cc(F)c(CO)cc1F.
What is the InChIKey of [2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
The InChIKey is PCNNUXFMKNUSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F5N2O/c1-19-4-10(12(15,16)17)18-11(19)7-3-8(13)6(5-20)2-9(7)14/h2-4,20H,5H2,1H3.
What are the key properties of [2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol?
[2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol has a molecular weight of 292.21 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methanol is sourced from PubChem (CID 172586154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).