(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone

C13H14F3NO — CID 153498765

IUPAC(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CC(F)(F)C2)cc1F
InChIInChI=1S/C13H14F3NO/c1-8(2)10-4-3-9(5-11(10)14)12(18)17-6-13(15,16)7-17/h3-5,8H,6-7H2,1-2H3
InChIKeyDBFYNDKGJKQECA-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.04
Rot. Bonds2

About (3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone

(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone (PubChem CID 153498765) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone
PubChem CID153498765
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)N2CC(F)(F)C2)cc1F
InChIInChI=1S/C13H14F3NO/c1-8(2)10-4-3-9(5-11(10)14)12(18)17-6-13(15,16)7-17/h3-5,8H,6-7H2,1-2H3
InChIKeyDBFYNDKGJKQECA-UHFFFAOYSA-N
XLogP3.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-amino-3,5-difluorophenyl)-(3,3-difluoroazetidin-1-yl)methanone
CID 172647132
(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 164882454
(3,3-difluoroazetidin-1-yl)-(6-propan-2-yl-3-pyridinyl)methanone
CID 153498731
(3,3-difluoroazetidin-1-yl)-(4-methyl-3-methylsulfonylphenyl)methanone
CID 118473535
(3,3-difluoroazetidin-1-yl)-(4-ethyl-3-methoxyphenyl)methanone
CID 166828507
[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]-(4-methoxy-3-propan-2-ylphenyl)methanone
CID 154762450
N,N-diethyl-3-fluoro-4-propan-2-ylbenzamide
CID 167035620
7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one
CID 131695127
1-(3,4-difluorobenzoyl)-N,N-di(propan-2-yl)azetidine-3-carboxamide
CID 90513447
(3-hydroxyazetidin-1-yl)-(3-methyl-4-propan-2-ylphenyl)methanone
CID 145367102
(3,3-difluoroazetidin-1-yl)-(3-fluoro-5-iodophenyl)methanone
CID 172647106
(3,3-difluoroazetidin-1-yl)-(6-methoxy-3-pyridinyl)methanone
CID 122269367

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone (CID 153498765) is (3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)N2CC(F)(F)C2)cc1F.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone?
The InChIKey is DBFYNDKGJKQECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-8(2)10-4-3-9(5-11(10)14)12(18)17-6-13(15,16)7-17/h3-5,8H,6-7H2,1-2H3.
What are the key properties of (3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone?
(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone has a molecular weight of 257.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 153498765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).