2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide

C11H17F2NO — CID 178010167

IUPAC2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide
SMILESCC(C)/C=C/CNC(=O)C1CCC1(F)F
InChIInChI=1S/C11H17F2NO/c1-8(2)4-3-7-14-10(15)9-5-6-11(9,12)13/h3-4,8-9H,5-7H2,1-2H3,(H,14,15)/b4-3+
InChIKeySSHDTMLHYVSZKM-ONEGZZNKSA-N
MW217.26 g/mol
LogP2.36
Rot. Bonds4

About 2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide

2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide (PubChem CID 178010167) has the molecular formula C11H17F2NO and a molecular weight of 217.26 g/mol. Its IUPAC name is 2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide
PubChem CID178010167
Molecular FormulaC11H17F2NO
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide
SMILESCC(C)/C=C/CNC(=O)C1CCC1(F)F
InChIInChI=1S/C11H17F2NO/c1-8(2)4-3-7-14-10(15)9-5-6-11(9,12)13/h3-4,8-9H,5-7H2,1-2H3,(H,14,15)/b4-3+
InChIKeySSHDTMLHYVSZKM-ONEGZZNKSA-N
XLogP2.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide
CID 172877856
(4Z)-N-(3,3-difluorocyclobutyl)-4-methyl-3-methylidenehepta-4,6-dienamide
CID 156730180
(E)-2,2-difluoro-N-(2-methylpropyl)hex-4-enamide
CID 166767269
N-[(2E)-2,5-dimethylhexa-2,4-dienyl]-3,3-difluorocyclobutane-1-carboxamide
CID 166927491
N-[(1R)-1-cyclohexa-1,3-dien-1-ylethyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 171777754
(3,3-difluorocyclobutyl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 175807923
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
CID 178011026
4-amino-N-(4,4,4-trifluorobutan-2-yl)cyclopent-2-ene-1-carboxamide
CID 105937654
4-amino-N-(5,5,5-trifluoropentyl)cyclopent-2-ene-1-carboxamide
CID 113327514
3-(aminomethyl)-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 113591655
5-amino-2-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 113591656
5-amino-4-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one
CID 114489782

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide (CID 178010167) is 2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide is CC(C)/C=C/CNC(=O)C1CCC1(F)F.
What is the InChIKey of 2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide?
The InChIKey is SSHDTMLHYVSZKM-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H17F2NO/c1-8(2)4-3-7-14-10(15)9-5-6-11(9,12)13/h3-4,8-9H,5-7H2,1-2H3,(H,14,15)/b4-3+.
What are the key properties of 2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide?
2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide has a molecular weight of 217.26 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 178010167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).