5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine

C15H14F3N — CID 142219929

IUPAC5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine
SMILESCCC(c1ccccc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H14F3N/c1-2-13(11-6-4-3-5-7-11)12-8-9-14(19-10-12)15(16,17)18/h3-10,13H,2H2,1H3
InChIKeyJHJDJTYMLZWDRE-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.64
Rot. Bonds3

About 5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine

5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine (PubChem CID 142219929) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine
PubChem CID142219929
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine
SMILESCCC(c1ccccc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H14F3N/c1-2-13(11-6-4-3-5-7-11)12-8-9-14(19-10-12)15(16,17)18/h3-10,13H,2H2,1H3
InChIKeyJHJDJTYMLZWDRE-UHFFFAOYSA-N
XLogP4.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
CID 66695263
5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
(2S)-2-(4-fluorophenyl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 129409501
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
CID 164715814
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
4-phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]butanenitrile
CID 162534778
3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
CID 145489922
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558
4-[(1R)-1-phenylpropyl]aniline
CID 164669947
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
2-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanedial
CID 166650530
2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170824360

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine (CID 142219929) is 5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine is CCC(c1ccccc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine?
The InChIKey is JHJDJTYMLZWDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-2-13(11-6-4-3-5-7-11)12-8-9-14(19-10-12)15(16,17)18/h3-10,13H,2H2,1H3.
What are the key properties of 5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine?
5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine has a molecular weight of 265.28 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 142219929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).