3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol

C11H12F5NO2 — CID 103147785

IUPAC3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
SMILESOC(CCOCC(F)F)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H12F5NO2/c12-10(13)6-19-4-2-9(18)7-5-17-3-1-8(7)11(14,15)16/h1,3,5,9-10,18H,2,4,6H2
InChIKeyMBKMSBNXNJWUNE-UHFFFAOYSA-N
MW285.21 g/mol
LogP2.81
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol

3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol (PubChem CID 103147785) has the molecular formula C11H12F5NO2 and a molecular weight of 285.21 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
PubChem CID103147785
Molecular FormulaC11H12F5NO2
Molecular Weight285.21 g/mol
Exact Mass285.08
IUPAC Name3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
SMILESOC(CCOCC(F)F)c1cnccc1C(F)(F)F
InChIInChI=1S/C11H12F5NO2/c12-10(13)6-19-4-2-9(18)7-5-17-3-1-8(7)11(14,15)16/h1,3,5,9-10,18H,2,4,6H2
InChIKeyMBKMSBNXNJWUNE-UHFFFAOYSA-N
XLogP2.81
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 52.81
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

4-ethoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102710133
4,4-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]pentan-1-ol
CID 114211469
1-[4-(trifluoromethyl)-3-pyridinyl]nonan-1-ol
CID 102710219
1-[4-(trifluoromethyl)-3-pyridinyl]heptan-1-ol
CID 102707324
3-pyridin-3-yl-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol
CID 102710209
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484
1-[4-(trifluoromethyl)-3-pyridinyl]but-3-en-1-ol
CID 102707910
3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]butan-1-ol
CID 102707904
3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103148910
2-(3,5-dimethylphenyl)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102707787
2-(cyclopropylamino)-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
CID 102709143
3-(2,2,2-trifluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 103147504

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol (CID 103147785) is 3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol is OC(CCOCC(F)F)c1cnccc1C(F)(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol?
The InChIKey is MBKMSBNXNJWUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO2/c12-10(13)6-19-4-2-9(18)7-5-17-3-1-8(7)11(14,15)16/h1,3,5,9-10,18H,2,4,6H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol?
3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol has a molecular weight of 285.21 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-[4-(trifluoromethyl)-3-pyridinyl]propan-1-ol is sourced from PubChem (CID 103147785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).