5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline

C12H8F4N2 — CID 163811294

IUPAC5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline
SMILESNc1cc(F)c(C(F)(F)F)cc1-c1ccccn1
InChIInChI=1S/C12H8F4N2/c13-9-6-10(17)7(5-8(9)12(14,15)16)11-3-1-2-4-18-11/h1-6H,17H2
InChIKeyNNMGCXZIEAADNQ-UHFFFAOYSA-N
MW256.20 g/mol
LogP3.49
Rot. Bonds1

About 5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline

5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline (PubChem CID 163811294) has the molecular formula C12H8F4N2 and a molecular weight of 256.20 g/mol. Its IUPAC name is 5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline
PubChem CID163811294
Molecular FormulaC12H8F4N2
Molecular Weight256.20 g/mol
Exact Mass256.06
IUPAC Name5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline
SMILESNc1cc(F)c(C(F)(F)F)cc1-c1ccccn1
InChIInChI=1S/C12H8F4N2/c13-9-6-10(17)7(5-8(9)12(14,15)16)11-3-1-2-4-18-11/h1-6H,17H2
InChIKeyNNMGCXZIEAADNQ-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

4,5-difluorobenzene-1,2-diamine;2-fluoro-3-(trifluoromethyl)pyridine
CID 159042611
2-[2-methyl-3,5-bis(trifluoromethyl)phenyl]pyridine
CID 144740114
2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine
CID 164927236
2-fluoro-3-pyridin-2-ylaniline
CID 176913716
[2,7-dipyridin-2-yl-3,6-bis(trifluoromethyl)fluoren-9-ylidene]cyanamide
CID 154028921
3-pyridin-2-yl-2-(trifluoromethyl)pyridine
CID 68525561
2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;iridium
CID 59757598
[7-fluoro-3-propyl-5-pyridin-2-yl-8-(trifluoromethyl)-3H-1,4-benzodiazepin-2-yl]hydrazine
CID 21492828
2-[2-[2-methyl-4,6-bis(trifluoromethyl)phenyl]phenyl]pyridine
CID 58939585
2-(4-chloro-2-fluorophenyl)pyridine
CID 57200729
4-pyridin-2-ylnaphthalen-1-amine
CID 23120766
2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
CID 20807365

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline?
The IUPAC name of 5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline (CID 163811294) is 5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline?
The canonical SMILES for 5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline is Nc1cc(F)c(C(F)(F)F)cc1-c1ccccn1.
What is the InChIKey of 5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline?
The InChIKey is NNMGCXZIEAADNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N2/c13-9-6-10(17)7(5-8(9)12(14,15)16)11-3-1-2-4-18-11/h1-6H,17H2.
What are the key properties of 5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline?
5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)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 5-fluoro-2-pyridin-2-yl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 163811294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).