N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide

C11H13F2NOS — CID 154513377

IUPACN-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1ccsc1
InChIInChI=1S/C11H13F2NOS/c12-11(13)4-1-9(2-5-11)14-10(15)8-3-6-16-7-8/h3,6-7,9H,1-2,4-5H2,(H,14,15)
InChIKeyOQBOOOMGFOMFBM-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.06
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide

N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide (PubChem CID 154513377) has the molecular formula C11H13F2NOS and a molecular weight of 245.29 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
PubChem CID154513377
Molecular FormulaC11H13F2NOS
Molecular Weight245.29 g/mol
Exact Mass245.07
IUPAC NameN-(4,4-difluorocyclohexyl)thiophene-3-carboxamide
SMILESO=C(NC1CCC(F)(F)CC1)c1ccsc1
InChIInChI=1S/C11H13F2NOS/c12-11(13)4-1-9(2-5-11)14-10(15)8-3-6-16-7-8/h3,6-7,9H,1-2,4-5H2,(H,14,15)
InChIKeyOQBOOOMGFOMFBM-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide (CID 154513377) is N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide is O=C(NC1CCC(F)(F)CC1)c1ccsc1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide?
The InChIKey is OQBOOOMGFOMFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NOS/c12-11(13)4-1-9(2-5-11)14-10(15)8-3-6-16-7-8/h3,6-7,9H,1-2,4-5H2,(H,14,15).
What are the key properties of N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide?
N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)thiophene-3-carboxamide is sourced from PubChem (CID 154513377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).