2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol

C12H18FNO2 — CID 116712381

IUPAC2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol
SMILESCCOC(C(C)C)C(O)c1ccncc1F
InChIInChI=1S/C12H18FNO2/c1-4-16-12(8(2)3)11(15)9-5-6-14-7-10(9)13/h5-8,11-12,15H,4H2,1-3H3
InChIKeyPYRARUMVUPVLSK-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.32
Rot. Bonds5

About 2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol

2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol (PubChem CID 116712381) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol
PubChem CID116712381
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol
SMILESCCOC(C(C)C)C(O)c1ccncc1F
InChIInChI=1S/C12H18FNO2/c1-4-16-12(8(2)3)11(15)9-5-6-14-7-10(9)13/h5-8,11-12,15H,4H2,1-3H3
InChIKeyPYRARUMVUPVLSK-UHFFFAOYSA-N
XLogP2.32
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
[2-ethoxy-1-(3-fluoro-4-pyridinyl)propyl]hydrazine
CID 105222856
1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720684
[2-ethoxy-1-(3-fluoro-4-pyridinyl)butyl]hydrazine
CID 105271066
1-cyclopropyl-2-(3-fluoro-4-pyridinyl)ethane-1,2-diol
CID 103456925
1-(3-fluoro-4-pyridinyl)-3-methoxypropan-1-ol
CID 104737985
4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877157
2-ethoxy-1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-ol
CID 107288624
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol
CID 116711939
N-[3-(3-fluoro-4-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829540

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol?
The IUPAC name of 2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol (CID 116712381) is 2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol?
The canonical SMILES for 2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol is CCOC(C(C)C)C(O)c1ccncc1F.
What is the InChIKey of 2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol?
The InChIKey is PYRARUMVUPVLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-4-16-12(8(2)3)11(15)9-5-6-14-7-10(9)13/h5-8,11-12,15H,4H2,1-3H3.
What are the key properties of 2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol?
2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol has a molecular weight of 227.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol is sourced from PubChem (CID 116712381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).