N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline

C15H12F5N — CID 91805173

IUPACN-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline
SMILESFC(F)(F)C(F)(F)c1ccccc1CNc1ccccc1
InChIInChI=1S/C15H12F5N/c16-14(17,15(18,19)20)13-9-5-4-6-11(13)10-21-12-7-2-1-3-8-12/h1-9,21H,10H2
InChIKeyVTEWKNNXNRZHSW-UHFFFAOYSA-N
MW301.26 g/mol
LogP4.95
Rot. Bonds4

About N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline

N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline (PubChem CID 91805173) has the molecular formula C15H12F5N and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline.

Molecular Properties

Compound NameN-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline
PubChem CID91805173
Molecular FormulaC15H12F5N
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC NameN-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline
SMILESFC(F)(F)C(F)(F)c1ccccc1CNc1ccccc1
InChIInChI=1S/C15H12F5N/c16-14(17,15(18,19)20)13-9-5-4-6-11(13)10-21-12-7-2-1-3-8-12/h1-9,21H,10H2
InChIKeyVTEWKNNXNRZHSW-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-2-phenylhydrazine
CID 169387110
3-[2-(1,1,2,2,2-pentafluoroethyl)phenyl]propan-1-amine
CID 84729115
3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide
CID 28650471
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 79032953
4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 78885226
N-[[2-(2-phenylethyl)phenyl]methyl]aniline
CID 147323955
2-methyl-4-N-[[2-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 62881302
N-(2,2,2-trifluoroethyl)aniline
CID 9596
N-[(2-ethenylphenyl)methyl]aniline
CID 68786307
N-(quinolin-8-ylmethyl)aniline
CID 28610045
N-[[2-(aminomethyl)-3-pyridinyl]methyl]aniline
CID 105466958
N-(2-bromo-2,2-difluoroethyl)aniline
CID 130551729

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline?
The IUPAC name of N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline (CID 91805173) is N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline.
What is the SMILES notation for N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline?
The canonical SMILES for N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline is FC(F)(F)C(F)(F)c1ccccc1CNc1ccccc1.
What is the InChIKey of N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline?
The InChIKey is VTEWKNNXNRZHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N/c16-14(17,15(18,19)20)13-9-5-4-6-11(13)10-21-12-7-2-1-3-8-12/h1-9,21H,10H2.
What are the key properties of N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline?
N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline has a molecular weight of 301.26 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]aniline is sourced from PubChem (CID 91805173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).