4-methylaniline trifluoride

C7H9F3N-3 — CID 22627679

IUPAC4-methylaniline trifluoride
SMILESCc1ccc(N)cc1.[F-].[F-].[F-]
InChIInChI=1S/C7H9N.3FH/c1-6-2-4-7(8)5-3-6;;;/h2-5H,8H2,1H3;3*1H/p-3
InChIKeyPAOIOGYARFUGNF-UHFFFAOYSA-K
MW164.15 g/mol
LogP-7.41
Rot. Bonds

About 4-methylaniline trifluoride

4-methylaniline trifluoride (PubChem CID 22627679) has the molecular formula C7H9F3N-3 and a molecular weight of 164.15 g/mol. Its IUPAC name is 4-methylaniline trifluoride.

Molecular Properties

Compound Name4-methylaniline trifluoride
PubChem CID22627679
Molecular FormulaC7H9F3N-3
Molecular Weight164.15 g/mol
Exact Mass164.07
IUPAC Name4-methylaniline trifluoride
SMILESCc1ccc(N)cc1.[F-].[F-].[F-]
InChIInChI=1S/C7H9N.3FH/c1-6-2-4-7(8)5-3-6;;;/h2-5H,8H2,1H3;3*1H/p-3
InChIKeyPAOIOGYARFUGNF-UHFFFAOYSA-K
XLogP-7.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 5-7.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methylaniline;trihydrofluoride
CID 70169513
CID 173375065
CID 173375065
ethane;4-(4-methylphenyl)aniline
CID 142892908
ethane;4-methylaniline;molecular hydrogen;hydrate
CID 144555420
4-methylaniline;sulfur trioxide
CID 158922912
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870
methanesulfonic acid;4-methylaniline
CID 175567140
4-[3-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]aniline
CID 131995519
4-[(1E,3E)-4-(4-methylphenyl)buta-1,3-dienyl]aniline
CID 89165666
4-[2,2-dimethyl-3-(4-methylphenyl)propyl]aniline
CID 170390648
4-[(4-methylphenyl)methylsulfanylmethyl]aniline
CID 82177912
4-methylaniline;molecular hydrogen;sulfanylmethanol;hydrate
CID 142844835

Frequently Asked Questions

What is the IUPAC name of 4-methylaniline trifluoride?
The IUPAC name of 4-methylaniline trifluoride (CID 22627679) is 4-methylaniline trifluoride.
What is the SMILES notation for 4-methylaniline trifluoride?
The canonical SMILES for 4-methylaniline trifluoride is Cc1ccc(N)cc1.[F-].[F-].[F-].
What is the InChIKey of 4-methylaniline trifluoride?
The InChIKey is PAOIOGYARFUGNF-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H9N.3FH/c1-6-2-4-7(8)5-3-6;;;/h2-5H,8H2,1H3;3*1H/p-3.
What are the key properties of 4-methylaniline trifluoride?
4-methylaniline trifluoride has a molecular weight of 164.15 g/mol, XLogP of -7.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylaniline trifluoride is sourced from PubChem (CID 22627679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).