N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine

C20F19N — CID 171479860

IUPACN,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine
SMILESFc1c(F)c(F)c(C(c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)C(F)(F)N(F)F)c(F)c1F
InChIInChI=1S/C20F19N/c21-4-1(5(22)11(28)16(33)10(4)27)19(20(36,37)40(38)39,2-6(23)12(29)17(34)13(30)7(2)24)3-8(25)14(31)18(35)15(32)9(3)26
InChIKeyYACYZLOBYUKRNO-UHFFFAOYSA-N
MW615.19 g/mol
LogP7.77
Rot. Bonds5

About N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine

N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine (PubChem CID 171479860) has the molecular formula C20F19N and a molecular weight of 615.19 g/mol. Its IUPAC name is N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine.

Molecular Properties

Compound NameN,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine
PubChem CID171479860
Molecular FormulaC20F19N
Molecular Weight615.19 g/mol
Exact Mass614.97
IUPAC NameN,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine
SMILESFc1c(F)c(F)c(C(c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)C(F)(F)N(F)F)c(F)c1F
InChIInChI=1S/C20F19N/c21-4-1(5(22)11(28)16(33)10(4)27)19(20(36,37)40(38)39,2-6(23)12(29)17(34)13(30)7(2)24)3-8(25)14(31)18(35)15(32)9(3)26
InChIKeyYACYZLOBYUKRNO-UHFFFAOYSA-N
XLogP7.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.19
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,4,5-pentafluoro-6-[1,2,2,2-tetrafluoro-1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
CID 91743957
1-[dichloro(fluoro)methyl]-2,3,4,5,6-pentafluorobenzene
CID 13416590
1-[[difluoro-(2,3,4,5,6-pentafluorophenyl)methyl]sulfanyl-difluoromethyl]-2,3,4,5,6-pentafluorobenzene
CID 129161534
ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene
CID 145102025
1,2,3,4,5,6,8-heptafluoro-7-(trifluoromethyl)naphthalene
CID 4313794
2,3,4,5-tetrafluoro-6-(trifluoromethyl)phenol
CID 90973259
4,4-difluoro-4-(2,3,4,5,6-pentafluorophenyl)butanoic acid
CID 170903379
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]sulfanylbenzene
CID 177256045
1-[(2S)-2,3-dibromo-1,1,2,3,3-pentafluoropropyl]-2,3,4,5,6-pentafluorobenzene
CID 98114468
manganese(2+);bis(2,3,4,5,6-pentafluorobenzenethiolate)
CID 122226400
11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol
CID 101403635
1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene
CID 23272706

Frequently Asked Questions

What is the IUPAC name of N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine?
The IUPAC name of N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine (CID 171479860) is N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine.
What is the SMILES notation for N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine?
The canonical SMILES for N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine is Fc1c(F)c(F)c(C(c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)C(F)(F)N(F)F)c(F)c1F.
What is the InChIKey of N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine?
The InChIKey is YACYZLOBYUKRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20F19N/c21-4-1(5(22)11(28)16(33)10(4)27)19(20(36,37)40(38)39,2-6(23)12(29)17(34)13(30)7(2)24)3-8(25)14(31)18(35)15(32)9(3)26.
What are the key properties of N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine?
N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine has a molecular weight of 615.19 g/mol, XLogP of 7.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1,1-tetrafluoro-2,2,2-tris(2,3,4,5,6-pentafluorophenyl)ethanamine is sourced from PubChem (CID 171479860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).