(4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone

C10H8F4N2O — CID 172647132

IUPAC(4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESNc1c(F)cc(C(=O)N2CC(F)(F)C2)cc1F
InChIInChI=1S/C10H8F4N2O/c11-6-1-5(2-7(12)8(6)15)9(17)16-3-10(13,14)4-16/h1-2H,3-4,15H2
InChIKeyQEIQXZKTGJFHTR-UHFFFAOYSA-N
MW248.18 g/mol
LogP1.64
Rot. Bonds1

About (4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone

(4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone (PubChem CID 172647132) has the molecular formula C10H8F4N2O and a molecular weight of 248.18 g/mol. Its IUPAC name is (4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone
PubChem CID172647132
Molecular FormulaC10H8F4N2O
Molecular Weight248.18 g/mol
Exact Mass248.06
IUPAC Name(4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone
SMILESNc1c(F)cc(C(=O)N2CC(F)(F)C2)cc1F
InChIInChI=1S/C10H8F4N2O/c11-6-1-5(2-7(12)8(6)15)9(17)16-3-10(13,14)4-16/h1-2H,3-4,15H2
InChIKeyQEIQXZKTGJFHTR-UHFFFAOYSA-N
XLogP1.64
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone
CID 153498765
(3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone
CID 172647106
(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 55160201
(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 63185506
(4-amino-3,5-difluorophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 63186086
(4-amino-3,5-difluorophenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 63185244
(3,3-difluoroazetidin-1-yl)-(2-fluoro-5-iodophenyl)methanone
CID 58290528
1-(4-amino-3-fluorobenzoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981522
(4-amino-3-pyridinyl)-(3,3-difluoroazetidin-1-yl)methanone
CID 68771862
(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155289431
2-amino-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetaldehyde
CID 87531421

Frequently Asked Questions

What is the IUPAC name of (4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone?
The IUPAC name of (4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone (CID 172647132) is (4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone?
The canonical SMILES for (4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone is Nc1c(F)cc(C(=O)N2CC(F)(F)C2)cc1F.
What is the InChIKey of (4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone?
The InChIKey is QEIQXZKTGJFHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O/c11-6-1-5(2-7(12)8(6)15)9(17)16-3-10(13,14)4-16/h1-2H,3-4,15H2.
What are the key properties of (4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone?
(4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone has a molecular weight of 248.18 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone is sourced from PubChem (CID 172647132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).