4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline

C12H8F4N2 — CID 102708661

IUPAC4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline
SMILESNc1ccc(F)c(-c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C12H8F4N2/c13-11-2-1-7(17)5-8(11)9-6-18-4-3-10(9)12(14,15)16/h1-6H,17H2
InChIKeySMZZMDAVFQJQKO-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.49
Rot. Bonds1

About 4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline

4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline (PubChem CID 102708661) has the molecular formula C12H8F4N2 and a molecular weight of 256.20 g/mol. Its IUPAC name is 4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline.

Molecular Properties

Compound Name4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline
PubChem CID102708661
Molecular FormulaC12H8F4N2
Molecular Weight256.20 g/mol
Exact Mass256.06
IUPAC Name4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline
SMILESNc1ccc(F)c(-c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C12H8F4N2/c13-11-2-1-7(17)5-8(11)9-6-18-4-3-10(9)12(14,15)16/h1-6H,17H2
InChIKeySMZZMDAVFQJQKO-UHFFFAOYSA-N
XLogP3.49
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 102708717
4-fluoro-3-[2-(trifluoromethyl)phenyl]aniline
CID 112694389
3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
CID 102824580
[3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 102708695
3-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179
2-fluoro-5-[4-(trifluoromethyl)-3-pyridinyl]pyridine
CID 169408045
4-(4-chloro-3-pyridinyl)-3-fluoroaniline
CID 163275681
N-[4-amino-2-(trifluoromethyl)phenyl]-3-fluoropyridine-4-carboxamide
CID 64949859
5-fluoro-N-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-2-amine
CID 102709103
2,4-dimethyl-5-[4-(trifluoromethyl)-3-pyridinyl]benzoic acid
CID 107515751
[(5-chloro-2-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methyl]hydrazine
CID 102710441
4-amino-2-[3-(trifluoromethyl)-2-pyridinyl]phenol
CID 154216867

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline?
The IUPAC name of 4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline (CID 102708661) is 4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline.
What is the SMILES notation for 4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline?
The canonical SMILES for 4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline is Nc1ccc(F)c(-c2cnccc2C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline?
The InChIKey is SMZZMDAVFQJQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2/c13-11-2-1-7(17)5-8(11)9-6-18-4-3-10(9)12(14,15)16/h1-6H,17H2.
What are the key properties of 4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline?
4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline has a molecular weight of 256.20 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[4-(trifluoromethyl)-3-pyridinyl]aniline is sourced from PubChem (CID 102708661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).