4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol

C12H16FNO2 — CID 104737699

IUPAC4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol
SMILESCC1CC(O)(c2ccncc2F)CC(C)O1
InChIInChI=1S/C12H16FNO2/c1-8-5-12(15,6-9(2)16-8)10-3-4-14-7-11(10)13/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyCYHFFQUHTSWBJA-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.00
Rot. Bonds1

About 4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol

4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol (PubChem CID 104737699) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol.

Molecular Properties

Compound Name4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol
PubChem CID104737699
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol
SMILESCC1CC(O)(c2ccncc2F)CC(C)O1
InChIInChI=1S/C12H16FNO2/c1-8-5-12(15,6-9(2)16-8)10-3-4-14-7-11(10)13/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyCYHFFQUHTSWBJA-UHFFFAOYSA-N
XLogP2.00
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3-fluoro-4-pyridinyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171964614
1-(3-fluoro-4-pyridinyl)cycloheptan-1-ol
CID 104737486
4-ethyl-1-(3-fluoro-4-pyridinyl)cyclohexan-1-ol
CID 104737480
1-(3-fluoro-4-pyridinyl)-4-methylcyclohex-2-en-1-ol
CID 165491618
3-(3-fluoro-4-pyridinyl)-1-methylpyrrolidin-3-ol
CID 104737517
1-(3-fluoro-4-pyridinyl)-2-propylcyclopropan-1-ol
CID 79333295
6-(3-fluoro-4-pyridinyl)bicyclo[3.1.0]hexan-6-ol
CID 79331450
1-(3-fluoro-4-pyridinyl)-2,4-dimethylcyclohexan-1-ol
CID 104737601
2,6-dimethyl-4-(pyridin-3-ylmethyl)oxan-4-ol
CID 104735822
13-(3-fluoro-4-pyridinyl)tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-ol
CID 104737683
4-(2,6-difluoro-3-methylphenyl)-2,6-dimethyloxan-4-ol
CID 82820329
1-(3-fluoro-4-pyridinyl)-2,3-dimethylcyclohexan-1-amine
CID 104737792

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol?
The IUPAC name of 4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol (CID 104737699) is 4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol.
What is the SMILES notation for 4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol?
The canonical SMILES for 4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol is CC1CC(O)(c2ccncc2F)CC(C)O1.
What is the InChIKey of 4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol?
The InChIKey is CYHFFQUHTSWBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-5-12(15,6-9(2)16-8)10-3-4-14-7-11(10)13/h3-4,7-9,15H,5-6H2,1-2H3.
What are the key properties of 4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol?
4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol has a molecular weight of 225.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-pyridinyl)-2,6-dimethyloxan-4-ol is sourced from PubChem (CID 104737699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).