N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide

C12H16F2N2O — CID 121021883

IUPACN-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NC1CCC(F)(F)CC1
InChIInChI=1S/C12H16F2N2O/c13-12(14)5-3-10(4-6-12)15-11(17)9-16-7-1-2-8-16/h1-2,7-8,10H,3-6,9H2,(H,15,17)
InChIKeyURUFXWMAOKVDSW-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.18
Rot. Bonds3

About N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide

N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide (PubChem CID 121021883) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide
PubChem CID121021883
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC NameN-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide
SMILESO=C(Cn1cccc1)NC1CCC(F)(F)CC1
InChIInChI=1S/C12H16F2N2O/c13-12(14)5-3-10(4-6-12)15-11(17)9-16-7-1-2-8-16/h1-2,7-8,10H,3-6,9H2,(H,15,17)
InChIKeyURUFXWMAOKVDSW-UHFFFAOYSA-N
XLogP2.18
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.18
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)-2-pyrrol-1-ylacetamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide (CID 121021883) is N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide is O=C(Cn1cccc1)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide?
The InChIKey is URUFXWMAOKVDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c13-12(14)5-3-10(4-6-12)15-11(17)9-16-7-1-2-8-16/h1-2,7-8,10H,3-6,9H2,(H,15,17).
What are the key properties of N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide?
N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide has a molecular weight of 242.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-2-pyrrol-1-ylacetamide is sourced from PubChem (CID 121021883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).