(4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone

C21H15F6NO2 — CID 174898820

IUPAC(4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2cc(C(F)(F)F)c3occc3c2)c(F)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C21H15F6NO2/c22-17-11-13(19(29)28-6-4-20(23,24)5-7-28)1-2-15(17)14-9-12-3-8-30-18(12)16(10-14)21(25,26)27/h1-3,8-11H,4-7H2
InChIKeyBACWHZBAEIGUAT-UHFFFAOYSA-N
MW427.34 g/mol
LogP6.13
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone

(4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone (PubChem CID 174898820) has the molecular formula C21H15F6NO2 and a molecular weight of 427.34 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone
PubChem CID174898820
Molecular FormulaC21H15F6NO2
Molecular Weight427.34 g/mol
Exact Mass427.10
IUPAC Name(4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone
SMILESO=C(c1ccc(-c2cc(C(F)(F)F)c3occc3c2)c(F)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C21H15F6NO2/c22-17-11-13(19(29)28-6-4-20(23,24)5-7-28)1-2-15(17)14-9-12-3-8-30-18(12)16(10-14)21(25,26)27/h1-3,8-11H,4-7H2
InChIKeyBACWHZBAEIGUAT-UHFFFAOYSA-N
XLogP6.13
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.34
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,4-difluoropiperidin-1-yl)-[4-[7-(trifluoromethoxy)-1-benzofuran-5-yl]phenyl]methanone
CID 174899206
[4-(7-cyclobutyloxy-2-ethyl-1-benzofuran-5-yl)-3-fluorophenyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 148678164
[5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)-1-benzofuran-2-yl]methylcarbamic acid
CID 130176907
(4,4-difluoropiperidin-1-yl)-[4-[4-(5-ethylfuran-2-yl)-3-(4-fluorophenyl)phenyl]-3-fluorophenyl]methanone
CID 161180812
[4-[4-[5-(aminomethyl)-1,3-oxazol-2-yl]-3-(trifluoromethyl)phenyl]-3-fluorophenyl]-(3,3-difluoroazetidin-1-yl)methanone
CID 126602272
[6-[2-(aminomethyl)-7-(trifluoromethyl)-1-benzothiophen-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone
CID 121428261
[7-(2,4-difluorophenyl)-5-[4-(4,4-difluoropiperidine-1-carbonyl)phenyl]-1-benzofuran-2-yl]-methylcarbamic acid
CID 130176925
(4,4-difluoropiperidin-1-yl)-[4-[2-ethyl-7-(3-fluoro-5-methylphenyl)-1-benzofuran-5-yl]phenyl]methanone
CID 160677024
(4,4-difluoropiperidin-1-yl)-[6-[3-methyl-2-(methyliminomethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]methanone
CID 139452065
[5-[4-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-2-(trifluoromethyl)phenyl]furan-2-yl]-methylcarbamic acid
CID 126602336
6-[7-(4,4-difluoropiperidine-1-carbonyl)naphthalen-2-yl]-3,4-dihydro-2H-phthalazin-1-one
CID 176752233
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone (CID 174898820) is (4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone is O=C(c1ccc(-c2cc(C(F)(F)F)c3occc3c2)c(F)c1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone?
The InChIKey is BACWHZBAEIGUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6NO2/c22-17-11-13(19(29)28-6-4-20(23,24)5-7-28)1-2-15(17)14-9-12-3-8-30-18(12)16(10-14)21(25,26)27/h1-3,8-11H,4-7H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone?
(4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone has a molecular weight of 427.34 g/mol, XLogP of 6.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[3-fluoro-4-[7-(trifluoromethyl)-1-benzofuran-5-yl]phenyl]methanone is sourced from PubChem (CID 174898820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).