4-dimethylphosphanyl-2-(trifluoromethyl)aniline

C9H11F3NP — CID 177255345

IUPAC4-dimethylphosphanyl-2-(trifluoromethyl)aniline
SMILESCP(C)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C9H11F3NP/c1-14(2)6-3-4-8(13)7(5-6)9(10,11)12/h3-5H,13H2,1-2H3
InChIKeySMRRBKUVDRGTDC-UHFFFAOYSA-N
MW221.16 g/mol
LogP2.65
Rot. Bonds1

About 4-dimethylphosphanyl-2-(trifluoromethyl)aniline

4-dimethylphosphanyl-2-(trifluoromethyl)aniline (PubChem CID 177255345) has the molecular formula C9H11F3NP and a molecular weight of 221.16 g/mol. Its IUPAC name is 4-dimethylphosphanyl-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-dimethylphosphanyl-2-(trifluoromethyl)aniline
PubChem CID177255345
Molecular FormulaC9H11F3NP
Molecular Weight221.16 g/mol
Exact Mass221.06
IUPAC Name4-dimethylphosphanyl-2-(trifluoromethyl)aniline
SMILESCP(C)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C9H11F3NP/c1-14(2)6-3-4-8(13)7(5-6)9(10,11)12/h3-5H,13H2,1-2H3
InChIKeySMRRBKUVDRGTDC-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.16
LogP ≤ 52.65
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

4-methyl-2-(trifluoromethyl)aniline
CID 2737710
4-[4-amino-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 161352173
4-propan-2-ylsulfanyl-2-(trifluoromethyl)aniline
CID 20531429
4-methoxy-2-(trifluoromethyl)aniline
CID 22601721
4-[[4-amino-3-(trifluoromethyl)phenyl]diazenyl]-2-(trifluoromethyl)aniline
CID 134604008
4-[2-[4-amino-3-(trifluoromethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(trifluoromethyl)aniline
CID 18388526
4-(aminomethyl)-2-(trifluoromethyl)aniline
CID 55255909
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)aniline;hydrochloride
CID 146049158
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
4-(4-methylsulfanylphenoxy)-2-(trifluoromethyl)aniline
CID 63647439
2-(trifluoromethyl)benzene-1,4-diamine;5-(trifluoromethyl)benzene-1,3-diamine
CID 89251950
4-(2-propan-2-ylphenyl)-2-(trifluoromethyl)aniline
CID 175663849

Frequently Asked Questions

What is the IUPAC name of 4-dimethylphosphanyl-2-(trifluoromethyl)aniline?
The IUPAC name of 4-dimethylphosphanyl-2-(trifluoromethyl)aniline (CID 177255345) is 4-dimethylphosphanyl-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-dimethylphosphanyl-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-dimethylphosphanyl-2-(trifluoromethyl)aniline is CP(C)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-dimethylphosphanyl-2-(trifluoromethyl)aniline?
The InChIKey is SMRRBKUVDRGTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3NP/c1-14(2)6-3-4-8(13)7(5-6)9(10,11)12/h3-5H,13H2,1-2H3.
What are the key properties of 4-dimethylphosphanyl-2-(trifluoromethyl)aniline?
4-dimethylphosphanyl-2-(trifluoromethyl)aniline has a molecular weight of 221.16 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylphosphanyl-2-(trifluoromethyl)aniline is sourced from PubChem (CID 177255345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).