N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide

C9H11F2NO3S — CID 103770034

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC(O)C(F)F
InChIInChI=1S/C9H11F2NO3S/c1-15-6-2-3-16-7(6)9(14)12-4-5(13)8(10)11/h2-3,5,8,13H,4H2,1H3,(H,12,14)
InChIKeyNLMDFRJOKDNFQL-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.11
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide (PubChem CID 103770034) has the molecular formula C9H11F2NO3S and a molecular weight of 251.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide
PubChem CID103770034
Molecular FormulaC9H11F2NO3S
Molecular Weight251.25 g/mol
Exact Mass251.04
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCC(O)C(F)F
InChIInChI=1S/C9H11F2NO3S/c1-15-6-2-3-16-7(6)9(14)12-4-5(13)8(10)11/h2-3,5,8,13H,4H2,1H3,(H,12,14)
InChIKeyNLMDFRJOKDNFQL-UHFFFAOYSA-N
XLogP1.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide (CID 103770034) is N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is NLMDFRJOKDNFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3S/c1-15-6-2-3-16-7(6)9(14)12-4-5(13)8(10)11/h2-3,5,8,13H,4H2,1H3,(H,12,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide has a molecular weight of 251.25 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103770034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).