N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide

C9H12F2N2OS — CID 114383440

IUPACN-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C9H12F2N2OS/c1-6-2-15-3-7(6)8(14)13-5-9(10,11)4-12/h2-3H,4-5,12H2,1H3,(H,13,14)
InChIKeySKUGFRGYEOXOOS-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.38
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide

N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide (PubChem CID 114383440) has the molecular formula C9H12F2N2OS and a molecular weight of 234.27 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide
PubChem CID114383440
Molecular FormulaC9H12F2N2OS
Molecular Weight234.27 g/mol
Exact Mass234.06
IUPAC NameN-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(F)(F)CN
InChIInChI=1S/C9H12F2N2OS/c1-6-2-15-3-7(6)8(14)13-5-9(10,11)4-12/h2-3H,4-5,12H2,1H3,(H,13,14)
InChIKeySKUGFRGYEOXOOS-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide (CID 114383440) is N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCC(F)(F)CN.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide?
The InChIKey is SKUGFRGYEOXOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2OS/c1-6-2-15-3-7(6)8(14)13-5-9(10,11)4-12/h2-3H,4-5,12H2,1H3,(H,13,14).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide has a molecular weight of 234.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 114383440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).