2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride

C11H15Cl2F2NOS — CID 158683397

IUPAC2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccsc1C1CCC(F)(F)CC1
InChIInChI=1S/C11H13F2NOS.2ClH/c12-11(13)4-1-7(2-5-11)9-8(10(14)15)3-6-16-9;;/h3,6-7H,1-2,4-5H2,(H2,14,15);2*1H
InChIKeySBGJZHPGFUTTGK-UHFFFAOYSA-N
MW318.22 g/mol
LogP3.98
Rot. Bonds2

About 2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride

2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride (PubChem CID 158683397) has the molecular formula C11H15Cl2F2NOS and a molecular weight of 318.22 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride
PubChem CID158683397
Molecular FormulaC11H15Cl2F2NOS
Molecular Weight318.22 g/mol
Exact Mass317.02
IUPAC Name2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccsc1C1CCC(F)(F)CC1
InChIInChI=1S/C11H13F2NOS.2ClH/c12-11(13)4-1-7(2-5-11)9-8(10(14)15)3-6-16-9;;/h3,6-7H,1-2,4-5H2,(H2,14,15);2*1H
InChIKeySBGJZHPGFUTTGK-UHFFFAOYSA-N
XLogP3.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride?
The IUPAC name of 2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride (CID 158683397) is 2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1ccsc1C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride?
The InChIKey is SBGJZHPGFUTTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NOS.2ClH/c12-11(13)4-1-7(2-5-11)9-8(10(14)15)3-6-16-9;;/h3,6-7H,1-2,4-5H2,(H2,14,15);2*1H.
What are the key properties of 2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride?
2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride has a molecular weight of 318.22 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)thiophene-3-carboxamide;dihydrochloride is sourced from PubChem (CID 158683397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).