2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline

C14H5F10N — CID 141039620

IUPAC2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline
SMILESCN(CF)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H5F10N/c1-25(2-15)14-4(7(18)10(21)12(23)13(14)24)3-5(16)8(19)11(22)9(20)6(3)17/h2H2,1H3
InChIKeyQIOLGWFJFXAXPY-UHFFFAOYSA-N
MW377.18 g/mol
LogP4.97
Rot. Bonds3

About 2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline

2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline (PubChem CID 141039620) has the molecular formula C14H5F10N and a molecular weight of 377.18 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline
PubChem CID141039620
Molecular FormulaC14H5F10N
Molecular Weight377.18 g/mol
Exact Mass377.03
IUPAC Name2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline
SMILESCN(CF)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H5F10N/c1-25(2-15)14-4(7(18)10(21)12(23)13(14)24)3-5(16)8(19)11(22)9(20)6(3)17/h2H2,1H3
InChIKeyQIOLGWFJFXAXPY-UHFFFAOYSA-N
XLogP4.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.18
LogP ≤ 54.97
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'}

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Related Compounds

2,3,4,6-tetrafluorobicyclo[3.1.0]hexa-1(6),2,4-triene
CID 45090416
1,2,3,4,5-pentafluoro-6-[2,4,6-trifluoro-3,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 15490453
1,2,3,4,5-pentafluoro-6-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 22497144
N-ethyl-2,3,4,5-tetrafluoro-N-nonyl-6-(2,3,4,5,6-pentafluorophenyl)aniline
CID 141039561
2,3,4,5-tetrafluoro-N-hexyl-6-(2,3,4,5,6-pentafluorophenyl)-N-propylaniline
CID 141039655
1-N-methyl-1-N-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diamine
CID 55242568
1,2,3,4,5-pentafluoro-6-[2,3,6-trifluoro-4,5-bis(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 22497136
2,3,4,5,6-pentafluoro-N-(1-fluorobutyl)-N-(fluoromethyl)aniline
CID 22637744
boric acid;tetrakis(1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene);tris(2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline)
CID 173225240
1,3,4,5,6,7,8,9,9-nonafluoro-N-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]-N-trimethylsilylfluoren-2-amine
CID 141042297
1-N,4-N-bis(but-3-enyl)-2,3,5,6-tetrafluoro-1-N,4-N-dimethylbenzene-1,4-diamine
CID 126628751
1,2,3,4,5,6,7,9,10-nonafluoro-8-[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]pyrene
CID 151112358

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline?
The IUPAC name of 2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline (CID 141039620) is 2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline is CN(CF)c1c(F)c(F)c(F)c(F)c1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline?
The InChIKey is QIOLGWFJFXAXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5F10N/c1-25(2-15)14-4(7(18)10(21)12(23)13(14)24)3-5(16)8(19)11(22)9(20)6(3)17/h2H2,1H3.
What are the key properties of 2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline?
2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline has a molecular weight of 377.18 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-(fluoromethyl)-N-methyl-6-(2,3,4,5,6-pentafluorophenyl)aniline is sourced from PubChem (CID 141039620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).