2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol

C15H13F7N2O — CID 162378350

IUPAC2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc(C(O)C(F)(F)F)cc1F
InChIInChI=1S/C15H13F7N2O/c1-7(2)24-6-11(14(17,18)19)23-13(24)9-4-3-8(5-10(9)16)12(25)15(20,21)22/h3-7,12,25H,1-2H3
InChIKeyVNSXGRXMWYQPRW-UHFFFAOYSA-N
MW370.27 g/mol
LogP4.88
Rot. Bonds3

About 2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol

2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol (PubChem CID 162378350) has the molecular formula C15H13F7N2O and a molecular weight of 370.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
PubChem CID162378350
Molecular FormulaC15H13F7N2O
Molecular Weight370.27 g/mol
Exact Mass370.09
IUPAC Name2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol
SMILESCC(C)n1cc(C(F)(F)F)nc1-c1ccc(C(O)C(F)(F)F)cc1F
InChIInChI=1S/C15H13F7N2O/c1-7(2)24-6-11(14(17,18)19)23-13(24)9-4-3-8(5-10(9)16)12(25)15(20,21)22/h3-7,12,25H,1-2H3
InChIKeyVNSXGRXMWYQPRW-UHFFFAOYSA-N
XLogP4.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol?
The IUPAC name of 2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol (CID 162378350) is 2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol is CC(C)n1cc(C(F)(F)F)nc1-c1ccc(C(O)C(F)(F)F)cc1F.
What is the InChIKey of 2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol?
The InChIKey is VNSXGRXMWYQPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F7N2O/c1-7(2)24-6-11(14(17,18)19)23-13(24)9-4-3-8(5-10(9)16)12(25)15(20,21)22/h3-7,12,25H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol?
2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol has a molecular weight of 370.27 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[3-fluoro-4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]ethanol is sourced from PubChem (CID 162378350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).