N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline

C9H6F7N — CID 14400543

IUPACN-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
SMILESCCNc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C9H6F7N/c1-2-17-8-6(12)4(10)3(9(14,15)16)5(11)7(8)13/h17H,2H2,1H3
InChIKeyVPDTWBTUIHZJCS-UHFFFAOYSA-N
MW261.14 g/mol
LogP3.69
Rot. Bonds2

About N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline

N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline (PubChem CID 14400543) has the molecular formula C9H6F7N and a molecular weight of 261.14 g/mol. Its IUPAC name is N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
PubChem CID14400543
Molecular FormulaC9H6F7N
Molecular Weight261.14 g/mol
Exact Mass261.04
IUPAC NameN-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
SMILESCCNc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C9H6F7N/c1-2-17-8-6(12)4(10)3(9(14,15)16)5(11)7(8)13/h17H,2H2,1H3
InChIKeyVPDTWBTUIHZJCS-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
triethyl-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]azanium
CID 158335368
ethyl-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]phosphane
CID 88850684
1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene
CID 169121749
1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 14092719
difluoro-[2,3,5,6-tetrafluoro-4-(propylamino)phenyl]methanesulfonic acid
CID 167435003
5-(ethylamino)-1-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]pyrazole-4-carbonitrile
CID 13281581
2-methyl-1-(2,3,4,5,6-pentafluoroanilino)pentan-2-ol
CID 106290709
triethoxy-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
CID 2783342
[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]silane
CID 154500712
5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline
CID 177009324

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The IUPAC name of N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline (CID 14400543) is N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is CCNc1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The InChIKey is VPDTWBTUIHZJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F7N/c1-2-17-8-6(12)4(10)3(9(14,15)16)5(11)7(8)13/h17H,2H2,1H3.
What are the key properties of N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline has a molecular weight of 261.14 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 14400543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).