3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline

C8H9F3NP — CID 176942392

IUPAC3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline
SMILESCc1ccc(C(F)(F)P)c(F)c1N
InChIInChI=1S/C8H9F3NP/c1-4-2-3-5(8(10,11)13)6(9)7(4)12/h2-3H,12-13H2,1H3
InChIKeyCXOBXWMARDHCBB-UHFFFAOYSA-N
MW207.14 g/mol
LogP2.64
Rot. Bonds1

About 3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline

3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline (PubChem CID 176942392) has the molecular formula C8H9F3NP and a molecular weight of 207.14 g/mol. Its IUPAC name is 3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline.

Molecular Properties

Compound Name3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline
PubChem CID176942392
Molecular FormulaC8H9F3NP
Molecular Weight207.14 g/mol
Exact Mass207.04
IUPAC Name3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline
SMILESCc1ccc(C(F)(F)P)c(F)c1N
InChIInChI=1S/C8H9F3NP/c1-4-2-3-5(8(10,11)13)6(9)7(4)12/h2-3H,12-13H2,1H3
InChIKeyCXOBXWMARDHCBB-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3,6-dimethylaniline
CID 67968158
2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline
CID 143122644
2-fluoro-4-methylbenzene-1,3-diamine;2,3,3-trimethylbutan-2-ol
CID 164594407
2-bromo-3-methyl-6-(trifluoromethyl)aniline
CID 131143888
2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline
CID 143122125
6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline
CID 176942982
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-amine
CID 107514700
6-(2-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279619
2,3,6-trimethylaniline
CID 11958947
2-(2,3-difluoro-4-methylphenyl)-2-fluoro-3-methylbutan-1-amine
CID 107514807
2,3-difluoro-4-methylaniline;ethane
CID 145013768
ethyl 2-amino-3-methyl-6-(trifluoromethyl)benzoate
CID 79242596

Frequently Asked Questions

What is the IUPAC name of 3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline?
The IUPAC name of 3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline (CID 176942392) is 3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline.
What is the SMILES notation for 3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline?
The canonical SMILES for 3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline is Cc1ccc(C(F)(F)P)c(F)c1N.
What is the InChIKey of 3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline?
The InChIKey is CXOBXWMARDHCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3NP/c1-4-2-3-5(8(10,11)13)6(9)7(4)12/h2-3H,12-13H2,1H3.
What are the key properties of 3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline?
3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline has a molecular weight of 207.14 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[difluoro(phosphanyl)methyl]-2-fluoro-6-methylaniline is sourced from PubChem (CID 176942392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).