N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide

C11H17F2NO — CID 121021875

IUPACN-(4,4-difluorocyclohexyl)cyclobutanecarboxamide
SMILESO=C(NC1CCC(F)(F)CC1)C1CCC1
InChIInChI=1S/C11H17F2NO/c12-11(13)6-4-9(5-7-11)14-10(15)8-2-1-3-8/h8-9H,1-7H2,(H,14,15)
InChIKeyJBOZLTASSAHLID-UHFFFAOYSA-N
MW217.26 g/mol
LogP2.48
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide

N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide (PubChem CID 121021875) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)cyclobutanecarboxamide
PubChem CID121021875
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-(4,4-difluorocyclohexyl)cyclobutanecarboxamide
SMILESO=C(NC1CCC(F)(F)CC1)C1CCC1
InChIInChI=1S/C11H17F2NO/c12-11(13)6-4-9(5-7-11)14-10(15)8-2-1-3-8/h8-9H,1-7H2,(H,14,15)
InChIKeyJBOZLTASSAHLID-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide (CID 121021875) is N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide is O=C(NC1CCC(F)(F)CC1)C1CCC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide?
The InChIKey is JBOZLTASSAHLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO/c12-11(13)6-4-9(5-7-11)14-10(15)8-2-1-3-8/h8-9H,1-7H2,(H,14,15).
What are the key properties of N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide?
N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide has a molecular weight of 217.26 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide is sourced from PubChem (CID 121021875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).