6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline

C11H14F2NP — CID 176942982

IUPAC6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline
SMILESC=Cc1c(C)ccc(C(F)(F)P)c1NC
InChIInChI=1S/C11H14F2NP/c1-4-8-7(2)5-6-9(10(8)14-3)11(12,13)15/h4-6,14H,1,15H2,2-3H3
InChIKeyXEQLLTHJLJRSSS-UHFFFAOYSA-N
MW229.21 g/mol
LogP3.60
Rot. Bonds3

About 6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline

6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline (PubChem CID 176942982) has the molecular formula C11H14F2NP and a molecular weight of 229.21 g/mol. Its IUPAC name is 6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline.

Molecular Properties

Compound Name6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline
PubChem CID176942982
Molecular FormulaC11H14F2NP
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline
SMILESC=Cc1c(C)ccc(C(F)(F)P)c1NC
InChIInChI=1S/C11H14F2NP/c1-4-8-7(2)5-6-9(10(8)14-3)11(12,13)15/h4-6,14H,1,15H2,2-3H3
InChIKeyXEQLLTHJLJRSSS-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methanimidoyl-N,3-dimethyl-6-(trifluoromethyl)aniline
CID 143901601
2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline
CID 143122501
ethane;2-ethenyl-1,3,4-trimethylbenzene
CID 145148540
3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline
CID 176942392
2-ethenyl-3,6-dimethylbenzenethiol
CID 143494657
2-ethenyl-1,3-difluoro-4-methylbenzene
CID 134441923
[2,3-bis(ethenyl)-4-methylphenyl]methanol;ethane
CID 145207353
acetylene;2-ethenyl-1,3-dimethylbenzene
CID 142972019
2-ethenyl-3-fluoro-1-methyl-4-(4-methylphenyl)benzene
CID 142004346
2-ethenyl-4-methoxy-6-methyl-3-(methylamino)phenol
CID 165100560
3-N,4-dimethylbenzene-1,2,3-triamine
CID 54012745
4-ethenyl-1,2,3-trifluoro-5-methylbenzene
CID 141314724

Frequently Asked Questions

What is the IUPAC name of 6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline?
The IUPAC name of 6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline (CID 176942982) is 6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline.
What is the SMILES notation for 6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline?
The canonical SMILES for 6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline is C=Cc1c(C)ccc(C(F)(F)P)c1NC.
What is the InChIKey of 6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline?
The InChIKey is XEQLLTHJLJRSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2NP/c1-4-8-7(2)5-6-9(10(8)14-3)11(12,13)15/h4-6,14H,1,15H2,2-3H3.
What are the key properties of 6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline?
6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline has a molecular weight of 229.21 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline is sourced from PubChem (CID 176942982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).