N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline

C11H11F2N — CID 146522190

IUPACN-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline
SMILESC=CC(=C)N(C)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2N/c1-4-8(2)14(3)9-5-6-10(12)11(13)7-9/h4-7H,1-2H2,3H3
InChIKeyXYVTTWCDSBAMLP-UHFFFAOYSA-N
MW195.21 g/mol
LogP3.10
Rot. Bonds3

About N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline

N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline (PubChem CID 146522190) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline.

Molecular Properties

Compound NameN-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline
PubChem CID146522190
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC NameN-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline
SMILESC=CC(=C)N(C)c1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2N/c1-4-8(2)14(3)9-5-6-10(12)11(13)7-9/h4-7H,1-2H2,3H3
InChIKeyXYVTTWCDSBAMLP-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-difluorophenyl)-N-methyl-2-oxopropanamide
CID 115175463
1-N,4-N-bis(3,4-difluorophenyl)-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 167980780
4-fluoro-N,3-dimethyl-N-[(2E)-penta-2,4-dien-2-yl]aniline
CID 166780248
3,4-difluoro-N,N-bis(3-methylbut-2-enyl)aniline
CID 10869188
3-(3,4-difluoro-N-methylanilino)propan-1-ol
CID 110903439
N-(3,4-difluorophenyl)-N-methylazetidin-3-amine
CID 117040558
3,4-difluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257757
methyl 5-[(3,4-difluorophenyl)-methylcarbamoyl]furan-2-carboxylate
CID 75385054
N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
CID 113094861
4-chloro-2-N-(3,4-difluorophenyl)-2-N-methylbenzene-1,2-diamine
CID 115127668
3,4-difluoro-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735801
N-(3,4-difluorophenyl)-N-methylpiperidine-2-carboxamide
CID 115159731

Frequently Asked Questions

What is the IUPAC name of N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline?
The IUPAC name of N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline (CID 146522190) is N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline.
What is the SMILES notation for N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline?
The canonical SMILES for N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline is C=CC(=C)N(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline?
The InChIKey is XYVTTWCDSBAMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-4-8(2)14(3)9-5-6-10(12)11(13)7-9/h4-7H,1-2H2,3H3.
What are the key properties of N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline?
N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline has a molecular weight of 195.21 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-buta-1,3-dien-2-yl-3,4-difluoro-N-methylaniline is sourced from PubChem (CID 146522190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).