3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine

C18H10F3NO2 — CID 122382965

IUPAC3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine
SMILESFC(F)(F)Oc1ccc(-c2cc3oc4ccccc4c3cn2)cc1
InChIInChI=1S/C18H10F3NO2/c19-18(20,21)24-12-7-5-11(6-8-12)15-9-17-14(10-22-15)13-3-1-2-4-16(13)23-17/h1-10H
InChIKeyCBAMEADWDJDIDO-UHFFFAOYSA-N
MW329.28 g/mol
LogP5.55
Rot. Bonds2

About 3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine

3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 122382965) has the molecular formula C18H10F3NO2 and a molecular weight of 329.28 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine
PubChem CID122382965
Molecular FormulaC18H10F3NO2
Molecular Weight329.28 g/mol
Exact Mass329.07
IUPAC Name3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine
SMILESFC(F)(F)Oc1ccc(-c2cc3oc4ccccc4c3cn2)cc1
InChIInChI=1S/C18H10F3NO2/c19-18(20,21)24-12-7-5-11(6-8-12)15-9-17-14(10-22-15)13-3-1-2-4-16(13)23-17/h1-10H
InChIKeyCBAMEADWDJDIDO-UHFFFAOYSA-N
XLogP5.55
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.28
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11669478
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
4-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11517940
(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
3-(Trifluoroacetyl)-4-[2-(benzylamino)ethoxy]-1H-indole
CID 9928915
3-(Benzofuran-2-ylmethylene)anabaseine
CID 10338609
4-[4-(6-Methoxy-2-methyl-3-pyridinyl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 130442508
4-(2-Benzofuranyl)pyridine
CID 65590
Pyridylmethanol, 8a
CID 10064531
N-Dibenzofuran-3-yl-nicotinamide
CID 644729
1-(1-benzyl-1H-indol-3-yl)-2-phenoxyethanone
CID 2219407
N-dibenzo[b,d]furan-3-ylisonicotinamide
CID 2833465

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine (CID 122382965) is 3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine is FC(F)(F)Oc1ccc(-c2cc3oc4ccccc4c3cn2)cc1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is CBAMEADWDJDIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3NO2/c19-18(20,21)24-12-7-5-11(6-8-12)15-9-17-14(10-22-15)13-3-1-2-4-16(13)23-17/h1-10H.
What are the key properties of 3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine?
3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 329.28 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethoxy)phenyl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 122382965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).