N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide

C10H13F2NO — CID 167041815

IUPACN-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1=C(C=C(CC1)F)F
InChIInChI=1S/C10H13F2NO/c1-6(2)10(14)13-9-4-3-7(11)5-8(9)12/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyIXYQZUQCNYEKFD-UHFFFAOYSA-N
MW201.21 g/mol
LogP1.70
Rot. Bonds2

About N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide

N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide (PubChem CID 167041815) has the molecular formula C10H13F2NO and a molecular weight of 201.21 g/mol. Its IUPAC name is N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide
PubChem CID167041815
Molecular FormulaC10H13F2NO
Molecular Weight201.21 g/mol
Exact Mass201.10
IUPAC NameN-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide
SMILESCC(C)C(=O)NC1=C(C=C(CC1)F)F
InChIInChI=1S/C10H13F2NO/c1-6(2)10(14)13-9-4-3-7(11)5-8(9)12/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyIXYQZUQCNYEKFD-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity305

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-acetylcyclohexadienylamine
CID 19382580
N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
CID 54172936
4-fluoro-6-propan-2-yl-1H-pyridin-2-one
CID 89973677
5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one
CID 118446180
3-(difluoromethyl)-5,6-diethyl-1H-pyridin-2-one
CID 123654562
N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide
CID 123819181
2,2-dimethyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]propanamide
CID 123950583
N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 126661691
N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 126663639
N-cyclohexa-1,3-dien-1-yl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 139438484
N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide
CID 142113001
N-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide
CID 143299281

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide?
The IUPAC name of N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide (CID 167041815) is N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide?
The canonical SMILES for N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide is CC(C)C(=O)NC1=C(C=C(CC1)F)F.
What is the InChIKey of N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide?
The InChIKey is IXYQZUQCNYEKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6(2)10(14)13-9-4-3-7(11)5-8(9)12/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide?
N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide has a molecular weight of 201.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorocyclohexa-1,3-dien-1-yl)-2-methylpropanamide is sourced from PubChem (CID 167041815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).