N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine

C29H21F9N2O2 — CID 59192681

IUPACN-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)Oc1cccc(C(CNc2cccc(C(F)(F)F)n2)(Cc2ccccc2)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C29H21F9N2O2/c30-27(31,32)24-13-6-14-25(40-24)39-18-26(17-19-7-2-1-3-8-19,20-9-4-11-22(15-20)41-28(33,34)35)21-10-5-12-23(16-21)42-29(36,37)38/h1-16H,17-18H2,(H,39,40)
InChIKeySRHWNOJDARVGIH-UHFFFAOYSA-N
MW600.48 g/mol
LogP8.54
Rot. Bonds9

About N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine

N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine (PubChem CID 59192681) has the molecular formula C29H21F9N2O2 and a molecular weight of 600.48 g/mol. Its IUPAC name is N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine
PubChem CID59192681
Molecular FormulaC29H21F9N2O2
Molecular Weight600.48 g/mol
Exact Mass600.15
IUPAC NameN-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)Oc1cccc(C(CNc2cccc(C(F)(F)F)n2)(Cc2ccccc2)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C29H21F9N2O2/c30-27(31,32)24-13-6-14-25(40-24)39-18-26(17-19-7-2-1-3-8-19,20-9-4-11-22(15-20)41-28(33,34)35)21-10-5-12-23(16-21)42-29(36,37)38/h1-16H,17-18H2,(H,39,40)
InChIKeySRHWNOJDARVGIH-UHFFFAOYSA-N
XLogP8.54
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.48
LogP ≤ 58.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine (CID 59192681) is N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine is FC(F)(F)Oc1cccc(C(CNc2cccc(C(F)(F)F)n2)(Cc2ccccc2)c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine?
The InChIKey is SRHWNOJDARVGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F9N2O2/c30-27(31,32)24-13-6-14-25(40-24)39-18-26(17-19-7-2-1-3-8-19,20-9-4-11-22(15-20)41-28(33,34)35)21-10-5-12-23(16-21)42-29(36,37)38/h1-16H,17-18H2,(H,39,40).
What are the key properties of N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine?
N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine has a molecular weight of 600.48 g/mol, XLogP of 8.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-6-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 59192681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).