[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

C15H18F5NO2S — CID 71914040

IUPAC[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCCCC1(C(F)(F)F)CCCN1C(=O)c1sc(C)cc1OC(F)F
InChIInChI=1S/C15H18F5NO2S/c1-3-5-14(15(18,19)20)6-4-7-21(14)12(22)11-10(23-13(16)17)8-9(2)24-11/h8,13H,3-7H2,1-2H3
InChIKeySDKVTPULSQNORU-UHFFFAOYSA-N
MW371.37 g/mol
LogP5.00
Rot. Bonds5

About [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 71914040) has the molecular formula C15H18F5NO2S and a molecular weight of 371.37 g/mol. Its IUPAC name is [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID71914040
Molecular FormulaC15H18F5NO2S
Molecular Weight371.37 g/mol
Exact Mass371.10
IUPAC Name[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCCCC1(C(F)(F)F)CCCN1C(=O)c1sc(C)cc1OC(F)F
InChIInChI=1S/C15H18F5NO2S/c1-3-5-14(15(18,19)20)6-4-7-21(14)12(22)11-10(23-13(16)17)8-9(2)24-11/h8,13H,3-7H2,1-2H3
InChIKeySDKVTPULSQNORU-UHFFFAOYSA-N
XLogP5.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 71914040) is [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is CCCC1(C(F)(F)F)CCCN1C(=O)c1sc(C)cc1OC(F)F.
What is the InChIKey of [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is SDKVTPULSQNORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F5NO2S/c1-3-5-14(15(18,19)20)6-4-7-21(14)12(22)11-10(23-13(16)17)8-9(2)24-11/h8,13H,3-7H2,1-2H3.
What are the key properties of [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
[3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 371.37 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-5-methylthiophen-2-yl]-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 71914040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).