(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone

C14H19F2NOS — CID 155572084

IUPAC(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
SMILESCCCc1sc(C(=O)N2CCC(F)(F)C2)cc1CC
InChIInChI=1S/C14H19F2NOS/c1-3-5-11-10(4-2)8-12(19-11)13(18)17-7-6-14(15,16)9-17/h8H,3-7,9H2,1-2H3
InChIKeyPRLFUWSGPRMVNG-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.74
Rot. Bonds4

About (3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone

(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone (PubChem CID 155572084) has the molecular formula C14H19F2NOS and a molecular weight of 287.38 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
PubChem CID155572084
Molecular FormulaC14H19F2NOS
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone
SMILESCCCc1sc(C(=O)N2CCC(F)(F)C2)cc1CC
InChIInChI=1S/C14H19F2NOS/c1-3-5-11-10(4-2)8-12(19-11)13(18)17-7-6-14(15,16)9-17/h8H,3-7,9H2,1-2H3
InChIKeyPRLFUWSGPRMVNG-UHFFFAOYSA-N
XLogP3.74
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Thiophene derivative, 3c
CID 25023797
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[5-(Tert-butyl)-2-thienyl](1-pyrrolidinyl)methanone
CID 2741532
N-benzyl-5-ethyl-4-methylthiophene-2-carboxamide
CID 2545956
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N-Cyclopentyl-2,6-difluoro-N-[(thiophen-2-yl)methyl]benzamide
CID 3224911
(5-Methylthiophen-2-yl)(4-phenyl-3,6-dihydropyridin-1(2H)-yl)methanone
CID 24686496
(5-Ethylthiophen-2-yl)(pyrrolidin-1-yl)methanone
CID 1246054
N,N,4-trimethyl-5-phenyl-2-thiophenecarboxamide
CID 821953
(3-Phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
N-methyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 2970581

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone (CID 155572084) is (3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone is CCCc1sc(C(=O)N2CCC(F)(F)C2)cc1CC.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone?
The InChIKey is PRLFUWSGPRMVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-3-5-11-10(4-2)8-12(19-11)13(18)17-7-6-14(15,16)9-17/h8H,3-7,9H2,1-2H3.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone?
(3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone has a molecular weight of 287.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-(4-ethyl-5-propylthiophen-2-yl)methanone is sourced from PubChem (CID 155572084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).