(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone

C15H18F3NO — CID 58290377

IUPAC(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(F)c(C(=O)N2CCC(F)(F)CC2)c1
InChIInChI=1S/C15H18F3NO/c1-10(2)11-3-4-13(16)12(9-11)14(20)19-7-5-15(17,18)6-8-19/h3-4,9-10H,5-8H2,1-2H3
InChIKeyARIKWSSPZWJJIU-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.82
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone

(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone (PubChem CID 58290377) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone
PubChem CID58290377
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(F)c(C(=O)N2CCC(F)(F)CC2)c1
InChIInChI=1S/C15H18F3NO/c1-10(2)11-3-4-13(16)12(9-11)14(20)19-7-5-15(17,18)6-8-19/h3-4,9-10H,5-8H2,1-2H3
InChIKeyARIKWSSPZWJJIU-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone
CID 58290718
(5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone
CID 136533613
8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253
(4,4-difluoropiperidin-1-yl)-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanone
CID 176856787
2-(piperidine-1-carbonyl)-5-propan-2-ylbenzamide
CID 68832507
(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63157430
1-(5-chloro-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55167093
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(4,4-difluoropiperidin-1-yl)-[2-fluoro-5-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 171905793
(7,7-dimethyl-1,4-thiazepan-4-yl)-(2-fluoro-5-methylphenyl)methanone
CID 107300708
(5-bromo-2-fluorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 113241723
(5-chloro-2-fluorophenyl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 117044862

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone (CID 58290377) is (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone is CC(C)c1ccc(F)c(C(=O)N2CCC(F)(F)CC2)c1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone?
The InChIKey is ARIKWSSPZWJJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-10(2)11-3-4-13(16)12(9-11)14(20)19-7-5-15(17,18)6-8-19/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone?
(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone has a molecular weight of 285.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone is sourced from PubChem (CID 58290377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).