1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol

C11H14F3NO2 — CID 115002956

IUPAC1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol
SMILESOC(CCCOCC(F)(F)F)c1ccccn1
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)8-17-7-3-5-10(16)9-4-1-2-6-15-9/h1-2,4,6,10,16H,3,5,7-8H2
InChIKeyPXRCPRSPVQBIDH-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.47
Rot. Bonds6

About 1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol

1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol (PubChem CID 115002956) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol.

Molecular Properties

Compound Name1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol
PubChem CID115002956
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol
SMILESOC(CCCOCC(F)(F)F)c1ccccn1
InChIInChI=1S/C11H14F3NO2/c12-11(13,14)8-17-7-3-5-10(16)9-4-1-2-6-15-9/h1-2,4,6,10,16H,3,5,7-8H2
InChIKeyPXRCPRSPVQBIDH-UHFFFAOYSA-N
XLogP2.47
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 172780589
CID 172780589
1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 55257533
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
2-chloro-1-pyridin-2-ylethanol
CID 22145518
1-(4-ethylphenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 55096279
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430
N-methyl-1-(3-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093466
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
4-hydroxy-4-pyridin-2-ylbutanal
CID 54060730
1-(2-fluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 55182098
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504
1-[2-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanol
CID 61491136

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The IUPAC name of 1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol (CID 115002956) is 1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol.
What is the SMILES notation for 1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The canonical SMILES for 1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol is OC(CCCOCC(F)(F)F)c1ccccn1.
What is the InChIKey of 1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol?
The InChIKey is PXRCPRSPVQBIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c12-11(13,14)8-17-7-3-5-10(16)9-4-1-2-6-15-9/h1-2,4,6,10,16H,3,5,7-8H2.
What are the key properties of 1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol?
1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol has a molecular weight of 249.23 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol is sourced from PubChem (CID 115002956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).