[3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone

C10H12FNOS — CID 126794520

IUPAC[3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)N1CC(CF)C1
InChIInChI=1S/C10H12FNOS/c1-7-5-14-6-9(7)10(13)12-3-8(2-11)4-12/h5-6,8H,2-4H2,1H3
InChIKeyGIQRCJIURCGPHJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.10
Rot. Bonds2

About [3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone

[3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone (PubChem CID 126794520) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is [3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name[3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone
PubChem CID126794520
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name[3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)N1CC(CF)C1
InChIInChI=1S/C10H12FNOS/c1-7-5-14-6-9(7)10(13)12-3-8(2-11)4-12/h5-6,8H,2-4H2,1H3
InChIKeyGIQRCJIURCGPHJ-UHFFFAOYSA-N
XLogP2.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-(4-methylthiophene-3-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813539
(3R,4R)-4-cyclopropyl-1-(4-methylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120978925
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(4-methylthiophen-3-yl)methanone;hydrochloride
CID 120742923
2-[1-(4-methylthiophene-3-carbonyl)piperidin-4-yl]oxyacetic acid
CID 79802681
3,9-diazabicyclo[4.2.1]nonan-3-yl-(4-methylthiophen-3-yl)methanone;hydrochloride
CID 119635898
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 80504806
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 97161048
(4-methylthiophen-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 136512721
2-[3-methyl-1-(4-methylthiophene-3-carbonyl)azetidin-3-yl]oxyacetic acid
CID 102657658
(4-methylthiophen-3-yl)-[3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 75435150
1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 121188787
(2S,4S)-4-hydroxy-1-(4-methylthiophene-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79802956

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone?
The IUPAC name of [3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone (CID 126794520) is [3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for [3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for [3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone is Cc1cscc1C(=O)N1CC(CF)C1.
What is the InChIKey of [3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone?
The InChIKey is GIQRCJIURCGPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c1-7-5-14-6-9(7)10(13)12-3-8(2-11)4-12/h5-6,8H,2-4H2,1H3.
What are the key properties of [3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone?
[3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone has a molecular weight of 213.28 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)azetidin-1-yl]-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 126794520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).