1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide

C11H13F2NO — CID 129056505

IUPAC1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide
SMILESNC(=O)C1(C2=CCC(F)C=C2F)CCC1
InChIInChI=1S/C11H13F2NO/c12-7-2-3-8(9(13)6-7)11(10(14)15)4-1-5-11/h3,6-7H,1-2,4-5H2,(H2,14,15)
InChIKeyXOXZURHFQFRNAI-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.16
Rot. Bonds2

About 1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide

1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide (PubChem CID 129056505) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide
PubChem CID129056505
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide
SMILESNC(=O)C1(C2=CCC(F)C=C2F)CCC1
InChIInChI=1S/C11H13F2NO/c12-7-2-3-8(9(13)6-7)11(10(14)15)4-1-5-11/h3,6-7H,1-2,4-5H2,(H2,14,15)
InChIKeyXOXZURHFQFRNAI-UHFFFAOYSA-N
XLogP2.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide (CID 129056505) is 1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide is NC(=O)C1(C2=CCC(F)C=C2F)CCC1.
What is the InChIKey of 1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide?
The InChIKey is XOXZURHFQFRNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-7-2-3-8(9(13)6-7)11(10(14)15)4-1-5-11/h3,6-7H,1-2,4-5H2,(H2,14,15).
What are the key properties of 1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide?
1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide has a molecular weight of 213.23 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluorocyclohexa-1,5-dien-1-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 129056505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).