[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone

C14H18F2N2O2S — CID 156610768

IUPAC[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone
SMILESCOCC1CC(F)(F)CN1C1CN(C(=O)c2ccsc2)C1
InChIInChI=1S/C14H18F2N2O2S/c1-20-7-11-4-14(15,16)9-18(11)12-5-17(6-12)13(19)10-2-3-21-8-10/h2-3,8,11-12H,4-7,9H2,1H3
InChIKeyBQDXTPBRPJVFNT-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.93
Rot. Bonds4

About [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone

[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 156610768) has the molecular formula C14H18F2N2O2S and a molecular weight of 316.37 g/mol. Its IUPAC name is [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone
PubChem CID156610768
Molecular FormulaC14H18F2N2O2S
Molecular Weight316.37 g/mol
Exact Mass316.11
IUPAC Name[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone
SMILESCOCC1CC(F)(F)CN1C1CN(C(=O)c2ccsc2)C1
InChIInChI=1S/C14H18F2N2O2S/c1-20-7-11-4-14(15,16)9-18(11)12-5-17(6-12)13(19)10-2-3-21-8-10/h2-3,8,11-12H,4-7,9H2,1H3
InChIKeyBQDXTPBRPJVFNT-UHFFFAOYSA-N
XLogP1.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S,4S)-4-Fluoro-2-(morpholinocarbonyl)tetrahydro-1H-pyrrol-1-YL](3-thienyl)methanone
CID 110876028
{3-[ethyl(tetrahydro-2H-pyran-4-yl)amino]-1-azetanyl}(3-thienyl)methanone
CID 110197172
[(7S)-7-morpholin-4-yl-5-oxa-2-azaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
CID 164640453
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 126785983
4,4-Difluoro-2-(methoxymethyl)-1-[1-(thiophene-2-carbonyl)azetidin-3-YL]pyrrolidine
CID 132435895
1-{3-[4,4-Difluoro-2-(methoxymethyl)pyrrolidin-1-YL]azetidin-1-YL}-2-(thiophen-3-YL)ethan-1-one
CID 132435903
4,4-Difluoro-2-(methoxymethyl)-1-[1-(thiophene-3-carbonyl)azetidin-3-YL]pyrrolidine
CID 132435912
2-(Ethoxymethyl)-4,4-difluoro-1-[1-(3-methylthiophene-2-carbonyl)azetidin-3-YL]pyrrolidine
CID 132439774
2-(Ethoxymethyl)-4,4-difluoro-1-[1-(thiophene-3-carbonyl)azetidin-3-YL]pyrrolidine
CID 132439787
[3-[4,4-Difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-2-ylmethanone
CID 156610766
1-[3-[4,4-Difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-2-thiophen-3-ylethanone
CID 171143868
N-[(1-ethyl-2-pyrrolidinyl)methyl]-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-3-thiophenecarboxamide
CID 45246288

Frequently Asked Questions

What is the IUPAC name of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone (CID 156610768) is [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone is COCC1CC(F)(F)CN1C1CN(C(=O)c2ccsc2)C1.
What is the InChIKey of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is BQDXTPBRPJVFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2S/c1-20-7-11-4-14(15,16)9-18(11)12-5-17(6-12)13(19)10-2-3-21-8-10/h2-3,8,11-12H,4-7,9H2,1H3.
What are the key properties of [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone?
[3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 316.37 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]azetidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 156610768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).