N,N,2,3-tetrafluoroaniline

C6H3F4N — CID 25090604

IUPACN,N,2,3-tetrafluoroaniline
SMILESFc1cccc(N(F)F)c1F
InChIInChI=1S/C6H3F4N/c7-4-2-1-3-5(6(4)8)11(9)10/h1-3H
InChIKeyBBSAWGCXRLVOAD-UHFFFAOYSA-N
MW165.09 g/mol
LogP2.54
Rot. Bonds1

About N,N,2,3-tetrafluoroaniline

N,N,2,3-tetrafluoroaniline (PubChem CID 25090604) has the molecular formula C6H3F4N and a molecular weight of 165.09 g/mol. Its IUPAC name is N,N,2,3-tetrafluoroaniline.

Molecular Properties

Compound NameN,N,2,3-tetrafluoroaniline
PubChem CID25090604
Molecular FormulaC6H3F4N
Molecular Weight165.09 g/mol
Exact Mass165.02
IUPAC NameN,N,2,3-tetrafluoroaniline
SMILESFc1cccc(N(F)F)c1F
InChIInChI=1S/C6H3F4N/c7-4-2-1-3-5(6(4)8)11(9)10/h1-3H
InChIKeyBBSAWGCXRLVOAD-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.09
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trifluorobenzene
CID 15147
2-(N,2,3-trifluoroanilino)prop-2-enoic acid
CID 151159871
(2,3-difluorophenyl)-methylcarbamic acid
CID 67274769
hydron;tetrakis(2,3-difluorophenyl)boranuide
CID 140553745
N-[[ethyl(dimethoxy)silyl]-difluoromethyl]-N,2,3-trifluoroaniline
CID 90172459
1-(2,3-difluorophenyl)-3,3-difluoro-1-[fluoro-bis(trifluoromethylsulfonyl)methyl]urea
CID 87641447
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1-chloro-2,3-difluorobenzene
CID 157449386
N-(cyclohexylmethyl)-2,3-difluoro-N-methylaniline
CID 66962258
2-fluoro-N,N-di(propan-2-yl)aniline
CID 67920255
1,2-difluoro-3-(2-fluorophenyl)benzene;methanol
CID 70977056

Frequently Asked Questions

What is the IUPAC name of N,N,2,3-tetrafluoroaniline?
The IUPAC name of N,N,2,3-tetrafluoroaniline (CID 25090604) is N,N,2,3-tetrafluoroaniline.
What is the SMILES notation for N,N,2,3-tetrafluoroaniline?
The canonical SMILES for N,N,2,3-tetrafluoroaniline is Fc1cccc(N(F)F)c1F.
What is the InChIKey of N,N,2,3-tetrafluoroaniline?
The InChIKey is BBSAWGCXRLVOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4N/c7-4-2-1-3-5(6(4)8)11(9)10/h1-3H.
What are the key properties of N,N,2,3-tetrafluoroaniline?
N,N,2,3-tetrafluoroaniline has a molecular weight of 165.09 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,3-tetrafluoroaniline is sourced from PubChem (CID 25090604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).