(3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone

C13H16FNO — CID 145229880

IUPAC(3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
SMILESCC(C)c1cccc(C(=O)N2CC(F)C2)c1
InChIInChI=1S/C13H16FNO/c1-9(2)10-4-3-5-11(6-10)13(16)15-7-12(14)8-15/h3-6,9,12H,7-8H2,1-2H3
InChIKeyVLERTTBTEWHHSG-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.60
Rot. Bonds2

About (3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone

(3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone (PubChem CID 145229880) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
PubChem CID145229880
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name(3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
SMILESCC(C)c1cccc(C(=O)N2CC(F)C2)c1
InChIInChI=1S/C13H16FNO/c1-9(2)10-4-3-5-11(6-10)13(16)15-7-12(14)8-15/h3-6,9,12H,7-8H2,1-2H3
InChIKeyVLERTTBTEWHHSG-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methylazetidin-1-yl)-(3-propan-2-ylphenyl)methanone
CID 176864496
(3-fluoroazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864386
3-azabicyclo[3.1.0]hexan-3-yl-[3-(difluoromethyl)phenyl]methanone
CID 168961119
[(3S)-3-fluoropyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 176746595
[(3aR,6aS)-3a-(hydroxymethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-5-yl]-(3-propan-2-ylphenyl)methanone
CID 162637817
trifluoro-[[3-(3-fluoroazetidine-1-carbonyl)phenoxy]methyl]azanium
CID 163869326
[(3aS,7aR)-3a-(hydroxymethyl)-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrol-2-yl]-(3-propan-2-ylphenyl)methanone
CID 154811874
(3-aminopiperidin-1-yl)-[3-(difluoromethyl)phenyl]methanone
CID 176515168
(3-fluorophenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 110662297
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
N-methyl-3-propan-2-yl-N-[3-[3-[4-[3-(pyrrolidine-1-carbonyl)phenyl]pentanoyl]phenyl]butyl]benzamide
CID 170970709

Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone (CID 145229880) is (3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone is CC(C)c1cccc(C(=O)N2CC(F)C2)c1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone?
The InChIKey is VLERTTBTEWHHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-9(2)10-4-3-5-11(6-10)13(16)15-7-12(14)8-15/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of (3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone?
(3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone has a molecular weight of 221.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(3-propan-2-ylphenyl)methanone is sourced from PubChem (CID 145229880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).