4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol

C12H16F3NO — CID 137411130

IUPAC4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol
SMILESCC(C)c1ccc(CC(O)CC(F)(F)F)nc1
InChIInChI=1S/C12H16F3NO/c1-8(2)9-3-4-10(16-7-9)5-11(17)6-12(13,14)15/h3-4,7-8,11,17H,5-6H2,1-2H3
InChIKeyONQJCKGOMNVQCF-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.06
Rot. Bonds4

About 4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol

4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol (PubChem CID 137411130) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol
PubChem CID137411130
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol
SMILESCC(C)c1ccc(CC(O)CC(F)(F)F)nc1
InChIInChI=1S/C12H16F3NO/c1-8(2)9-3-4-10(16-7-9)5-11(17)6-12(13,14)15/h3-4,7-8,11,17H,5-6H2,1-2H3
InChIKeyONQJCKGOMNVQCF-UHFFFAOYSA-N
XLogP3.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
CID 79746123
1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol
CID 63201095
1-[5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201539
1-(6-ethyl-3-pyridinyl)ethanol
CID 88974864
N,N-dimethyl-2-(5-propan-2-yl-2-pyridinyl)acetamide
CID 176600306
1-amino-3-(5-methyl-2-pyridinyl)propan-2-ol
CID 83442584
N-methyl-N-[(5-propan-2-yl-2-pyridinyl)methyl]acetamide
CID 70912611
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-propan-2-ylpyridine
CID 135234346
6-(2-hydroxypropyl)pyridine-3-carboxylic acid
CID 68757151
1-(5-methoxy-2-pyridinyl)propan-2-ol
CID 83675700
1-(5-fluoro-2-pyridinyl)-3-methoxypropan-2-ol
CID 63200549
(1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
CID 175811445

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol?
The IUPAC name of 4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol (CID 137411130) is 4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol?
The canonical SMILES for 4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol is CC(C)c1ccc(CC(O)CC(F)(F)F)nc1.
What is the InChIKey of 4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol?
The InChIKey is ONQJCKGOMNVQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-8(2)9-3-4-10(16-7-9)5-11(17)6-12(13,14)15/h3-4,7-8,11,17H,5-6H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol?
4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol has a molecular weight of 247.26 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 137411130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).