[2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone

C21H20F3NO — CID 170293931

IUPAC[2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone
SMILESO=C(C1CC1(F)c1ccccc1-c1c(F)cccc1F)N1CCCCC1
InChIInChI=1S/C21H20F3NO/c22-17-9-6-10-18(23)19(17)14-7-2-3-8-15(14)21(24)13-16(21)20(26)25-11-4-1-5-12-25/h2-3,6-10,16H,1,4-5,11-13H2
InChIKeyPWVCIIDFXKVDMH-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.83
Rot. Bonds3

About [2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone

[2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone (PubChem CID 170293931) has the molecular formula C21H20F3NO and a molecular weight of 359.39 g/mol. Its IUPAC name is [2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone
PubChem CID170293931
Molecular FormulaC21H20F3NO
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name[2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone
SMILESO=C(C1CC1(F)c1ccccc1-c1c(F)cccc1F)N1CCCCC1
InChIInChI=1S/C21H20F3NO/c22-17-9-6-10-18(23)19(17)14-7-2-3-8-15(14)21(24)13-16(21)20(26)25-11-4-1-5-12-25/h2-3,6-10,16H,1,4-5,11-13H2
InChIKeyPWVCIIDFXKVDMH-UHFFFAOYSA-N
XLogP4.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3S)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-4,4-difluoropyrrolidin-3-yl]methanesulfonamide
CID 176848763
N-[(1S)-1-[(2S)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]azetidin-2-yl]ethyl]methanesulfonamide
CID 169240120
azepan-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene
CID 169240229
N-[[(2R,3R)-3-acetyl-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]azetidin-2-yl]methyl]methanesulfonamide
CID 176848575
N-[(1R)-1-[(2S,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]ethyl]methanesulfonamide
CID 176848871
N-[[(2R,3R)-1-[(1S,2S)-2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropanecarbonyl]-3-ethylazetidin-2-yl]methyl]methanesulfonamide
CID 176849067
azetidin-1-yl(cyclopropyl)methanone;1,3-difluoro-2-phenylbenzene;methanamine
CID 169240371
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
N-(2-fluorophenyl)-4-(piperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146012
N-[[(2S,3R)-1-[2-[2-(2,6-difluorophenyl)-4-methylphenyl]-2-fluorocyclopropanecarbonyl]-3-methylazetidin-2-yl]methyl]methanesulfonamide
CID 176848658
[4-(2-chlorophenyl)piperazin-1-yl]-spiro[cyclopropane-2,9'-fluorene]-1-ylmethanone
CID 44757897
2-(2-fluorophenyl)-4-(pyrrolidine-1-carbonyl)spiro[4H-isoquinoline-3,1'-cyclohexane]-1-one
CID 45496169

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone (CID 170293931) is [2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone is O=C(C1CC1(F)c1ccccc1-c1c(F)cccc1F)N1CCCCC1.
What is the InChIKey of [2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone?
The InChIKey is PWVCIIDFXKVDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3NO/c22-17-9-6-10-18(23)19(17)14-7-2-3-8-15(14)21(24)13-16(21)20(26)25-11-4-1-5-12-25/h2-3,6-10,16H,1,4-5,11-13H2.
What are the key properties of [2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone?
[2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone has a molecular weight of 359.39 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,6-difluorophenyl)phenyl]-2-fluorocyclopropyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 170293931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).