N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline

C16H14F6N2O2 — CID 91407588

IUPACN-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccc(OCC(F)(F)F)c(NCc2ccccn2)c1
InChIInChI=1S/C16H14F6N2O2/c17-15(18,19)9-25-12-4-5-14(26-10-16(20,21)22)13(7-12)24-8-11-3-1-2-6-23-11/h1-7,24H,8-10H2
InChIKeyBIHCWDDTVSAWIF-UHFFFAOYSA-N
MW380.29 g/mol
LogP4.58
Rot. Bonds7

About N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline

N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline (PubChem CID 91407588) has the molecular formula C16H14F6N2O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline
PubChem CID91407588
Molecular FormulaC16H14F6N2O2
Molecular Weight380.29 g/mol
Exact Mass380.10
IUPAC NameN-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline
SMILESFC(F)(F)COc1ccc(OCC(F)(F)F)c(NCc2ccccn2)c1
InChIInChI=1S/C16H14F6N2O2/c17-15(18,19)9-25-12-4-5-14(26-10-16(20,21)22)13(7-12)24-8-11-3-1-2-6-23-11/h1-7,24H,8-10H2
InChIKeyBIHCWDDTVSAWIF-UHFFFAOYSA-N
XLogP4.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline?
The IUPAC name of N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline (CID 91407588) is N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline is FC(F)(F)COc1ccc(OCC(F)(F)F)c(NCc2ccccn2)c1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline?
The InChIKey is BIHCWDDTVSAWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6N2O2/c17-15(18,19)9-25-12-4-5-14(26-10-16(20,21)22)13(7-12)24-8-11-3-1-2-6-23-11/h1-7,24H,8-10H2.
What are the key properties of N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline?
N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline has a molecular weight of 380.29 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2,5-bis(2,2,2-trifluoroethoxy)aniline is sourced from PubChem (CID 91407588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).