2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one

C10H18FNO — CID 58054342

IUPAC2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)C(C)(C)F)C1
InChIInChI=1S/C10H18FNO/c1-7(2)8-5-12(6-8)9(13)10(3,4)11/h7-8H,5-6H2,1-4H3
InChIKeyQFNXIAFJOROMRX-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.85
Rot. Bonds2

About 2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one

2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one (PubChem CID 58054342) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
PubChem CID58054342
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
SMILESCC(C)C1CN(C(=O)C(C)(C)F)C1
InChIInChI=1S/C10H18FNO/c1-7(2)8-5-12(6-8)9(13)10(3,4)11/h7-8H,5-6H2,1-4H3
InChIKeyQFNXIAFJOROMRX-UHFFFAOYSA-N
XLogP1.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one?
The IUPAC name of 2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one (CID 58054342) is 2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one?
The canonical SMILES for 2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one is CC(C)C1CN(C(=O)C(C)(C)F)C1.
What is the InChIKey of 2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one?
The InChIKey is QFNXIAFJOROMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-7(2)8-5-12(6-8)9(13)10(3,4)11/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one?
2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one has a molecular weight of 187.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-1-(3-propan-2-ylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 58054342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).