1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one

C10H18FNO — CID 121184925

IUPAC1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CC(CF)C1
InChIInChI=1S/C10H18FNO/c1-10(2,3)4-9(13)12-6-8(5-11)7-12/h8H,4-7H2,1-3H3
InChIKeyHFLRQJFMPLQBEE-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.85
Rot. Bonds2

About 1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one

1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 121184925) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID121184925
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CC(CF)C1
InChIInChI=1S/C10H18FNO/c1-10(2,3)4-9(13)12-6-8(5-11)7-12/h8H,4-7H2,1-3H3
InChIKeyHFLRQJFMPLQBEE-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

Analyze 1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one (CID 121184925) is 1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CC(CF)C1.
What is the InChIKey of 1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is HFLRQJFMPLQBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-10(2,3)4-9(13)12-6-8(5-11)7-12/h8H,4-7H2,1-3H3.
What are the key properties of 1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one?
1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-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 1-[3-(fluoromethyl)azetidin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 121184925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).