1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol

C16H10F7NO2 — CID 89344316

IUPAC1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol
SMILESOC(c1ccc(C(F)(F)C2(c3ccc(F)cc3F)CO2)nc1)C(F)(F)F
InChIInChI=1S/C16H10F7NO2/c17-9-2-3-10(11(18)5-9)14(7-26-14)15(19,20)12-4-1-8(6-24-12)13(25)16(21,22)23/h1-6,13,25H,7H2
InChIKeyGVSQKIVPIHKZSG-UHFFFAOYSA-N
MW381.25 g/mol
LogP3.97
Rot. Bonds4

About 1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol

1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol (PubChem CID 89344316) has the molecular formula C16H10F7NO2 and a molecular weight of 381.25 g/mol. Its IUPAC name is 1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol
PubChem CID89344316
Molecular FormulaC16H10F7NO2
Molecular Weight381.25 g/mol
Exact Mass381.06
IUPAC Name1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol
SMILESOC(c1ccc(C(F)(F)C2(c3ccc(F)cc3F)CO2)nc1)C(F)(F)F
InChIInChI=1S/C16H10F7NO2/c17-9-2-3-10(11(18)5-9)14(7-26-14)15(19,20)12-4-1-8(6-24-12)13(25)16(21,22)23/h1-6,13,25H,7H2
InChIKeyGVSQKIVPIHKZSG-UHFFFAOYSA-N
XLogP3.97
TPSA45.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol with MolForge

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Related Compounds

Phenyl(pyridin-3-yl)methanol
CID 234839
2-(4-(Ethyl(pyridin-2-ylmethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11632271
2-(4-(Ethyl(pyridin-4-ylmethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 11696530
2-[4-[Butyl(pyridine-2-ylmethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 16049407
2-{4-[Butyl(pyridin-4-ylmethyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 16049475
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 71554708
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)pyridin-2-yl]-cyclobutanol
CID 71554839
TRPV3 antagonist 74a
CID 71554840
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
CID 71554922
3-[(S)-hydroxy(pyridin-2-yl)methyl]-3-[2-(trifluoromethyl)-4-pyridinyl]cyclobutan-1-ol
CID 71554996
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 71555668
3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 71555736

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol (CID 89344316) is 1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol is OC(c1ccc(C(F)(F)C2(c3ccc(F)cc3F)CO2)nc1)C(F)(F)F.
What is the InChIKey of 1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol?
The InChIKey is GVSQKIVPIHKZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F7NO2/c17-9-2-3-10(11(18)5-9)14(7-26-14)15(19,20)12-4-1-8(6-24-12)13(25)16(21,22)23/h1-6,13,25H,7H2.
What are the key properties of 1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol?
1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol has a molecular weight of 381.25 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[2-(2,4-difluorophenyl)oxiran-2-yl]-difluoromethyl]-3-pyridinyl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 89344316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).