N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine

C16H14F6N2 — CID 177044147

IUPACN-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFC(F)(F)CCCNc1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C16H14F6N2/c17-15(18,19)8-1-9-23-13-6-7-14(24-10-13)11-2-4-12(5-3-11)16(20,21)22/h2-7,10,23H,1,8-9H2
InChIKeyBVSXHZXVINYHFH-UHFFFAOYSA-N
MW348.29 g/mol
LogP5.52
Rot. Bonds5

About N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine

N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine (PubChem CID 177044147) has the molecular formula C16H14F6N2 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine
PubChem CID177044147
Molecular FormulaC16H14F6N2
Molecular Weight348.29 g/mol
Exact Mass348.11
IUPAC NameN-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine
SMILESFC(F)(F)CCCNc1ccc(-c2ccc(C(F)(F)F)cc2)nc1
InChIInChI=1S/C16H14F6N2/c17-15(18,19)8-1-9-23-13-6-7-14(24-10-13)11-2-4-12(5-3-11)16(20,21)22/h2-7,10,23H,1,8-9H2
InChIKeyBVSXHZXVINYHFH-UHFFFAOYSA-N
XLogP5.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.29
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-Phenylpropyl)Pyridine
CID 459494
3-Aminoquinoline
CID 11375
Lanicemine
CID 9794203
2,3-Diphenylpyrazine
CID 243907
2-Phenylpyridine
CID 13887
2-(Phenylmethyl)pyridine
CID 7581
4-(Pyridin-2-yl)aniline
CID 459518
BC-1215
CID 72201045
Midaglizole
CID 68864
2-(2-Phenylethyl)pyridine
CID 75028
N-Desmethylpheniramine
CID 161283
1-(5-Phenylpyridin-3-yl)-1,4-diazepane
CID 10777277

Frequently Asked Questions

What is the IUPAC name of N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
The IUPAC name of N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine (CID 177044147) is N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
The canonical SMILES for N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine is FC(F)(F)CCCNc1ccc(-c2ccc(C(F)(F)F)cc2)nc1.
What is the InChIKey of N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
The InChIKey is BVSXHZXVINYHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F6N2/c17-15(18,19)8-1-9-23-13-6-7-14(24-10-13)11-2-4-12(5-3-11)16(20,21)22/h2-7,10,23H,1,8-9H2.
What are the key properties of N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine?
N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine has a molecular weight of 348.29 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)-6-[4-(trifluoromethyl)phenyl]pyridin-3-amine is sourced from PubChem (CID 177044147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).