N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline

C18H15F8N — CID 101027767

IUPACN,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline
SMILESCCN(CC)c1c(F)c(F)c(C(F)(F)C(F)(F)c2ccccc2)c(F)c1F
InChIInChI=1S/C18H15F8N/c1-3-27(4-2)16-14(21)12(19)11(13(20)15(16)22)18(25,26)17(23,24)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyGJLRYRZXKGVQNE-UHFFFAOYSA-N
MW397.31 g/mol
LogP5.97
Rot. Bonds6

About N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline

N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline (PubChem CID 101027767) has the molecular formula C18H15F8N and a molecular weight of 397.31 g/mol. Its IUPAC name is N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline
PubChem CID101027767
Molecular FormulaC18H15F8N
Molecular Weight397.31 g/mol
Exact Mass397.11
IUPAC NameN,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline
SMILESCCN(CC)c1c(F)c(F)c(C(F)(F)C(F)(F)c2ccccc2)c(F)c1F
InChIInChI=1S/C18H15F8N/c1-3-27(4-2)16-14(21)12(19)11(13(20)15(16)22)18(25,26)17(23,24)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyGJLRYRZXKGVQNE-UHFFFAOYSA-N
XLogP5.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,3,4-trifluoro-5-methyl-2-(1,1,2,2-tetrafluoro-2-phenylethyl)benzene
CID 175079511
1,1,2-trifluoro-1-phenylbutan-2-amine
CID 71076868
9-N,9-N,10-N,10-N-tetraethylanthracene-9,10-diamine
CID 14265487
4-[bis[4-(diethylamino)phenyl]-phenylmethyl]-N,N-diethylaniline
CID 59366408
ethane;bis(trifluoromethylbenzene)
CID 142912000
2,3,5,6-tetrafluoro-1-N-phenyl-1-N-(2,3,5,6-tetrafluoro-4-methylphenyl)-4-N-[2,3,5,6-tetrafluoro-4-(N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]anilino)phenyl]-4-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]benzene-1,4-diamine
CID 166974181
(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene
CID 167184164
4-(1,1-diphenylethyl)-N,N-diethylaniline
CID 139052612
N,N-diethylaniline
CID 7061
trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
1-(N-ethyl-3-methylanilino)-2-phenylpropan-2-ol
CID 62374821

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline?
The IUPAC name of N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline (CID 101027767) is N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline.
What is the SMILES notation for N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline?
The canonical SMILES for N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline is CCN(CC)c1c(F)c(F)c(C(F)(F)C(F)(F)c2ccccc2)c(F)c1F.
What is the InChIKey of N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline?
The InChIKey is GJLRYRZXKGVQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F8N/c1-3-27(4-2)16-14(21)12(19)11(13(20)15(16)22)18(25,26)17(23,24)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline?
N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline has a molecular weight of 397.31 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3,5,6-tetrafluoro-4-(1,1,2,2-tetrafluoro-2-phenylethyl)aniline is sourced from PubChem (CID 101027767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).