N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline

C15H10F7NO — CID 88701681

IUPACN-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline
SMILESFC(F)C(F)(F)Oc1ccc(Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H10F7NO/c16-13(17)15(21,22)24-10-7-5-9(6-8-10)23-12-4-2-1-3-11(12)14(18,19)20/h1-8,13,23H
InChIKeyLSDKTIUJXXDVKN-UHFFFAOYSA-N
MW353.24 g/mol
LogP5.69
Rot. Bonds5

About N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline

N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline (PubChem CID 88701681) has the molecular formula C15H10F7NO and a molecular weight of 353.24 g/mol. Its IUPAC name is N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline
PubChem CID88701681
Molecular FormulaC15H10F7NO
Molecular Weight353.24 g/mol
Exact Mass353.07
IUPAC NameN-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline
SMILESFC(F)C(F)(F)Oc1ccc(Nc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H10F7NO/c16-13(17)15(21,22)24-10-7-5-9(6-8-10)23-12-4-2-1-3-11(12)14(18,19)20/h1-8,13,23H
InChIKeyLSDKTIUJXXDVKN-UHFFFAOYSA-N
XLogP5.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.24
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-nitrosophenyl)-2-(trifluoromethyl)aniline
CID 19021339
2-N-(4-methoxyphenyl)-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112904768
2-N-(4-methoxyphenyl)-6-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112930727
1-[4-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 5000103
1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 26985388
2-(4-acetamidoanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51242154
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 155291177
5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109199921
4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
4-(trifluoromethoxy)-N-[2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3813923
N-(4-pyridin-4-yloxyphenyl)-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 11315983
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline (CID 88701681) is N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline is FC(F)C(F)(F)Oc1ccc(Nc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline?
The InChIKey is LSDKTIUJXXDVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F7NO/c16-13(17)15(21,22)24-10-7-5-9(6-8-10)23-12-4-2-1-3-11(12)14(18,19)20/h1-8,13,23H.
What are the key properties of N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline?
N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline has a molecular weight of 353.24 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 88701681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).