1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol

C11H14F3NO — CID 79746123

IUPAC1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
SMILESCCc1ccc(CC(O)CC(F)(F)F)nc1
InChIInChI=1S/C11H14F3NO/c1-2-8-3-4-9(15-7-8)5-10(16)6-11(12,13)14/h3-4,7,10,16H,2,5-6H2,1H3
InChIKeyYHFNQJLRQLODNC-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.50
Rot. Bonds4

About 1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol

1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol (PubChem CID 79746123) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
PubChem CID79746123
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol
SMILESCCc1ccc(CC(O)CC(F)(F)F)nc1
InChIInChI=1S/C11H14F3NO/c1-2-8-3-4-9(15-7-8)5-10(16)6-11(12,13)14/h3-4,7,10,16H,2,5-6H2,1H3
InChIKeyYHFNQJLRQLODNC-UHFFFAOYSA-N
XLogP2.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-1-(5-propan-2-yl-2-pyridinyl)butan-2-ol
CID 137411130
1-(5-ethyl-2-pyridinyl)-3-phenylpropan-2-ol
CID 79740538
1-(3,5-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79745103
1-(5-ethyl-2-pyridinyl)-3-ethylsulfanylpropan-2-ol
CID 79745603
1-(3,4-difluorophenyl)-3-(5-ethyl-2-pyridinyl)propan-2-ol
CID 115822218
4-ethoxy-1-(5-ethyl-2-pyridinyl)butan-2-ol
CID 105115139
1-(5-ethyl-2-pyridinyl)-4-(4-methylphenyl)butan-2-ol
CID 105115083
3-(5-ethyl-2-pyridinyl)-2-methylpropan-1-amine
CID 81020364
1-(5-ethyl-2-pyridinyl)-4-methylpentane-2,3-diol
CID 103456372
3-(dimethylamino)-1-(5-ethyl-2-pyridinyl)-3-methylbutan-2-ol
CID 79746221
3-ethyl-1-(5-ethyl-2-pyridinyl)-3-methoxypentan-2-ol
CID 116752855
1-(5-ethyl-2-pyridinyl)-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 79745838

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol (CID 79746123) is 1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol is CCc1ccc(CC(O)CC(F)(F)F)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol?
The InChIKey is YHFNQJLRQLODNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-2-8-3-4-9(15-7-8)5-10(16)6-11(12,13)14/h3-4,7,10,16H,2,5-6H2,1H3.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol?
1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-4,4,4-trifluorobutan-2-ol is sourced from PubChem (CID 79746123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).