1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone

C10H12FNOS — CID 121189002

IUPAC1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CC(CF)C1
InChIInChI=1S/C10H12FNOS/c11-4-9-5-12(6-9)10(13)3-8-1-2-14-7-8/h1-2,7,9H,3-6H2
InChIKeyXHAADTUWQMEZGP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.72
Rot. Bonds3

About 1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone

1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 121189002) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID121189002
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone
SMILESO=C(Cc1ccsc1)N1CC(CF)C1
InChIInChI=1S/C10H12FNOS/c11-4-9-5-12(6-9)10(13)3-8-1-2-14-7-8/h1-2,7,9H,3-6H2
InChIKeyXHAADTUWQMEZGP-UHFFFAOYSA-N
XLogP1.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone (CID 121189002) is 1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone is O=C(Cc1ccsc1)N1CC(CF)C1.
What is the InChIKey of 1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is XHAADTUWQMEZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c11-4-9-5-12(6-9)10(13)3-8-1-2-14-7-8/h1-2,7,9H,3-6H2.
What are the key properties of 1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone?
1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 213.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(fluoromethyl)azetidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 121189002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).