2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline

C9H11ClF2NP — CID 143122501

IUPAC2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline
SMILESCNc1c(Cl)cc(C)cc1C(F)(F)P
InChIInChI=1S/C9H11ClF2NP/c1-5-3-6(9(11,12)14)8(13-2)7(10)4-5/h3-4,13H,14H2,1-2H3
InChIKeyAILCKTWPBAKFLE-UHFFFAOYSA-N
MW237.62 g/mol
LogP3.61
Rot. Bonds2

About 2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline

2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline (PubChem CID 143122501) has the molecular formula C9H11ClF2NP and a molecular weight of 237.62 g/mol. Its IUPAC name is 2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline.

Molecular Properties

Compound Name2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline
PubChem CID143122501
Molecular FormulaC9H11ClF2NP
Molecular Weight237.62 g/mol
Exact Mass237.03
IUPAC Name2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline
SMILESCNc1c(Cl)cc(C)cc1C(F)(F)P
InChIInChI=1S/C9H11ClF2NP/c1-5-3-6(9(11,12)14)8(13-2)7(10)4-5/h3-4,13H,14H2,1-2H3
InChIKeyAILCKTWPBAKFLE-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.62
LogP ≤ 53.61
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

acetaldehyde;2-chloro-N,4-dimethyl-6-(trifluoromethyl)aniline;ethane;N-ethyl-N-propylhydroxylamine
CID 143122219
2-[difluoro(phosphanyl)methyl]-4,6-dimethylaniline
CID 143122644
1-chloro-2-fluoro-5-methyl-3-(trifluoromethyl)benzene;ethane
CID 145381877
2-chloro-4-methyl-6-(trifluoromethyl)benzenethiol
CID 171004287
2-[difluoro(phosphanyl)methyl]-4-methyl-6-(trifluoromethyl)aniline
CID 143122125
2-chloro-N,4-dimethyl-6-nitroaniline
CID 21161522
4-bromo-2,6-dichloro-N-methylaniline
CID 23345299
6-[difluoro(phosphanyl)methyl]-2-ethenyl-N,3-dimethylaniline
CID 176942982
2-[5-chloro-4-[difluoro(phosphanyl)methyl]-2-methylphenoxy]-N-methylethanamine
CID 143095450
(2-chloro-4,6-dimethylphenyl)cyanamide
CID 117027810
2,6-dichloro-4-methyl-N-(4-methylphenyl)aniline
CID 11369120
2-(3-chloro-2,5-dimethylphenyl)propan-2-ol
CID 84668610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline?
The IUPAC name of 2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline (CID 143122501) is 2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline.
What is the SMILES notation for 2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline?
The canonical SMILES for 2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline is CNc1c(Cl)cc(C)cc1C(F)(F)P.
What is the InChIKey of 2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline?
The InChIKey is AILCKTWPBAKFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF2NP/c1-5-3-6(9(11,12)14)8(13-2)7(10)4-5/h3-4,13H,14H2,1-2H3.
What are the key properties of 2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline?
2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline has a molecular weight of 237.62 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[difluoro(phosphanyl)methyl]-N,4-dimethylaniline is sourced from PubChem (CID 143122501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).