5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine

C10H12F3N — CID 66695263

IUPAC5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
SMILESCC[C@H](C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N/c1-3-7(2)8-4-5-9(14-6-8)10(11,12)13/h4-7H,3H2,1-2H3/t7-/m0/s1
InChIKeyNWLZYMHVYJHQEG-ZETCQYMHSA-N
MW203.21 g/mol
LogP3.61
Rot. Bonds2

About 5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine

5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine (PubChem CID 66695263) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
PubChem CID66695263
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine
SMILESCC[C@H](C)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H12F3N/c1-3-7(2)8-4-5-9(14-6-8)10(11,12)13/h4-7H,3H2,1-2H3/t7-/m0/s1
InChIKeyNWLZYMHVYJHQEG-ZETCQYMHSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(1-iodoethyl)-2-(trifluoromethyl)pyridine
CID 142294771
5-(1-phenylpropyl)-2-(trifluoromethyl)pyridine
CID 142219929
[(1R)-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]azanium
CID 164715814
3-bromo-5-[2-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyridine
CID 174048697
1-[6-(trifluoromethyl)-3-pyridinyl]ethylhydrazine;hydrochloride
CID 137356558
2-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]propanedial
CID 166650530
5-butan-2-yl-2-(1,2-difluoroethyl)pyridine
CID 170109541
5-(1-sulfinylpropan-2-yl)-2-(trifluoromethyl)pyridine
CID 87392243
3-amino-3-[6-(trifluoromethyl)-3-pyridinyl]propan-1-ol;ethane
CID 145489922
N-[1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
CID 68813957
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
N-pentan-2-yl-6-(trifluoromethyl)pyridin-3-amine
CID 82810705

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine (CID 66695263) is 5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine is CC[C@H](C)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine?
The InChIKey is NWLZYMHVYJHQEG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12F3N/c1-3-7(2)8-4-5-9(14-6-8)10(11,12)13/h4-7H,3H2,1-2H3/t7-/m0/s1.
What are the key properties of 5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine?
5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine has a molecular weight of 203.21 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-butan-2-yl]-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 66695263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).