1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol

C13H15F3O2 — CID 65410168

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)C1CCOc2ccccc21
InChIInChI=1S/C13H15F3O2/c14-13(15,16)7-5-11(17)9-6-8-18-12-4-2-1-3-10(9)12/h1-4,9,11,17H,5-8H2
InChIKeyHHMOHIQFKLXFAP-UHFFFAOYSA-N
MW260.25 g/mol
LogP3.26
Rot. Bonds3

About 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol

1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 65410168) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID65410168
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)C1CCOc2ccccc21
InChIInChI=1S/C13H15F3O2/c14-13(15,16)7-5-11(17)9-6-8-18-12-4-2-1-3-10(9)12/h1-4,9,11,17H,5-8H2
InChIKeyHHMOHIQFKLXFAP-UHFFFAOYSA-N
XLogP3.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
1-(3,4-dihydro-2H-chromen-4-yl)but-3-yn-1-ol
CID 65411928
1-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-3-ylpropan-1-ol
CID 65410166
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
2-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409973
2-(2,3-dichlorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 107308166
2-(2-chloro-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)ethanol
CID 65409768
1-(3,4-dihydro-2H-chromen-4-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 104770504
1-(3,4-dihydro-2H-chromen-4-yl)-2-(1-methylpyrazol-4-yl)ethanol
CID 65411728
[1-(2,3-dihydro-1-benzofuran-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105262588
3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol
CID 63709198

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol (CID 65410168) is 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol is OC(CCC(F)(F)F)C1CCOc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is HHMOHIQFKLXFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O2/c14-13(15,16)7-5-11(17)9-6-8-18-12-4-2-1-3-10(9)12/h1-4,9,11,17H,5-8H2.
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol?
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 260.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 65410168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).