1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

C11H14F3NO2 — CID 55257533

IUPAC1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESCc1ccnc(C(O)CCOCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-8-2-4-15-9(6-8)10(16)3-5-17-7-11(12,13)14/h2,4,6,10,16H,3,5,7H2,1H3
InChIKeyGCRWVVSMWUWRIH-UHFFFAOYSA-N
MW249.23 g/mol
LogP2.39
Rot. Bonds5

About 1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol

1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 55257533) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID55257533
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESCc1ccnc(C(O)CCOCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-8-2-4-15-9(6-8)10(16)3-5-17-7-11(12,13)14/h2,4,6,10,16H,3,5,7H2,1H3
InChIKeyGCRWVVSMWUWRIH-UHFFFAOYSA-N
XLogP2.39
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 52.39
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

1-pyridin-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-ol
CID 115002956
3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 130153201
3-(3-methylbutoxy)-1-(4-methyl-2-pyridinyl)propan-1-amine
CID 55256777
1-(2,3,4,5,6-pentamethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103210081
1-(2-ethylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147479
1-[2-(chloromethyl)-4-(2,2,2-trifluoroethoxy)butyl]-3-methylbenzene
CID 66048783
2-(methylamino)-1-(4-methyl-2-pyridinyl)ethanol
CID 82597131
(1S)-1-(4-methyl-2-pyridinyl)ethanol
CID 64712746
(1S)-1-[4-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 78947557
1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147960
ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate
CID 90379419
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 55257533) is 1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is Cc1ccnc(C(O)CCOCC(F)(F)F)c1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is GCRWVVSMWUWRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-8-2-4-15-9(6-8)10(16)3-5-17-7-11(12,13)14/h2,4,6,10,16H,3,5,7H2,1H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol?
1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 249.23 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 55257533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).