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

C12H11F3INO — CID 58290718

IUPAC(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone
SMILESO=C(c1cc(I)ccc1F)N1CCC(F)(F)CC1
InChIInChI=1S/C12H11F3INO/c13-10-2-1-8(16)7-9(10)11(18)17-5-3-12(14,15)4-6-17/h1-2,7H,3-6H2
InChIKeyMYFXXHNITUNJIN-UHFFFAOYSA-N
MW369.12 g/mol
LogP3.30
Rot. Bonds1

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

(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone (PubChem CID 58290718) has the molecular formula C12H11F3INO and a molecular weight of 369.12 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone
PubChem CID58290718
Molecular FormulaC12H11F3INO
Molecular Weight369.12 g/mol
Exact Mass368.98
IUPAC Name(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone
SMILESO=C(c1cc(I)ccc1F)N1CCC(F)(F)CC1
InChIInChI=1S/C12H11F3INO/c13-10-2-1-8(16)7-9(10)11(18)17-5-3-12(14,15)4-6-17/h1-2,7H,3-6H2
InChIKeyMYFXXHNITUNJIN-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.12
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone
CID 58290528
(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone
CID 58290377
(4,4-difluoropiperidin-1-yl)-[4-iodo-2-(trifluoromethyl)phenyl]methanone
CID 171921571
[3-(dimethylamino)azetidin-1-yl]-(2-fluoro-5-iodophenyl)methanone
CID 172646753
(5-chloro-2-fluorophenyl)-[4-(difluoromethyl)-4-hydroxypiperidin-1-yl]methanone
CID 136533613
(2-bromo-5-iodophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113364278
8-azaspiro[4.5]decan-8-yl-(2-fluoro-5-methylphenyl)methanone
CID 63159253
(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62938056
(5-chloro-2-fluorophenyl)-(3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 117044862
(5-amino-2-chlorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 142611641
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63157430

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone (CID 58290718) is (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone is O=C(c1cc(I)ccc1F)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone?
The InChIKey is MYFXXHNITUNJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3INO/c13-10-2-1-8(16)7-9(10)11(18)17-5-3-12(14,15)4-6-17/h1-2,7H,3-6H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone?
(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone has a molecular weight of 369.12 g/mol, XLogP of 3.30, 1 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-iodophenyl)methanone is sourced from PubChem (CID 58290718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).