N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide

C11H13F2NO — CID 172877856

IUPACN-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide
SMILESO=C(NC1C=CC(F)=C(F)C1)C1CCC1
InChIInChI=1S/C11H13F2NO/c12-9-5-4-8(6-10(9)13)14-11(15)7-2-1-3-7/h4-5,7-8H,1-3,6H2,(H,14,15)
InChIKeyPCEWBUWJWOUULU-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.38
Rot. Bonds2

About N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide

N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide (PubChem CID 172877856) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide
PubChem CID172877856
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide
SMILESO=C(NC1C=CC(F)=C(F)C1)C1CCC1
InChIInChI=1S/C11H13F2NO/c12-9-5-4-8(6-10(9)13)14-11(15)7-2-1-3-7/h4-5,7-8H,1-3,6H2,(H,14,15)
InChIKeyPCEWBUWJWOUULU-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-cyclohex-2-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 129349301
N-[(1S)-cyclohex-3-en-1-yl]-2-(3,3-difluorocyclobutyl)acetamide
CID 129349314
N-cyclobutyl-2,4-difluorocyclohexa-2,4-diene-1-carboxamide
CID 68383261
5-(Trifluoromethyl)-1,3,3a,7a-tetrahydroindol-2-one
CID 68402594
5-Fluoro-1,3,3a,7a-tetrahydroindol-2-one
CID 68402696
N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
CID 70261540
5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
CID 70892604
5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide
CID 71040291
2-(3-aminopropyl)-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pent-4-enamide
CID 89073749
4-fluoro-N-propan-2-ylcyclohexa-2,4-diene-1-carboxamide
CID 146544065
(4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide
CID 156730180
(3S)-4-amino-N-[(Z,2S,3E)-3-ethylidene-6-fluorohex-4-en-2-yl]-3-fluoropentanamide
CID 163952641

Frequently Asked Questions

What is the IUPAC name of N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide?
The IUPAC name of N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide (CID 172877856) is N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide is O=C(NC1C=CC(F)=C(F)C1)C1CCC1.
What is the InChIKey of N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide?
The InChIKey is PCEWBUWJWOUULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-9-5-4-8(6-10(9)13)14-11(15)7-2-1-3-7/h4-5,7-8H,1-3,6H2,(H,14,15).
What are the key properties of N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide?
N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide has a molecular weight of 213.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide is sourced from PubChem (CID 172877856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).