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

C12H13F3O2 — CID 67581666

IUPAC(2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CC1CCc2ccccc2O1)C(F)(F)F
InChIInChI=1S/C12H13F3O2/c13-12(14,15)11(16)7-9-6-5-8-3-1-2-4-10(8)17-9/h1-4,9,11,16H,5-7H2/t9?,11-/m0/s1
InChIKeyZWJYKBUOORFDAZ-UMJHXOGRSA-N
MW246.23 g/mol
LogP2.69
Rot. Bonds2

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

(2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol (PubChem CID 67581666) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is (2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol
PubChem CID67581666
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name(2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol
SMILESO[C@@H](CC1CCc2ccccc2O1)C(F)(F)F
InChIInChI=1S/C12H13F3O2/c13-12(14,15)11(16)7-9-6-5-8-3-1-2-4-10(8)17-9/h1-4,9,11,16H,5-7H2/t9?,11-/m0/s1
InChIKeyZWJYKBUOORFDAZ-UMJHXOGRSA-N
XLogP2.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2S)-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 54393265
2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde
CID 54477156
2-(difluoromethoxymethyl)-3,4-dihydro-2H-chromene
CID 163222414
benzene;2-(3,4-dihydro-2H-chromen-2-yl)acetaldehyde;ethanol
CID 142231638
2-(3,4-dihydro-2H-chromen-2-ylmethyl)guanidine
CID 154114295
(2S)-2-(2-phenylethyl)-3,4-dihydro-2H-chromene
CID 162778630
2-[(2R)-3,4-dihydro-2H-chromen-2-yl]-1-phenylethanone
CID 73333079
4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1,2,4-triazole
CID 50965959
2-(4-chlorobutyl)-3,4-dihydro-2H-chromene
CID 142039249
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
3,4-dihydro-2H-chromen-2-yl trifluoromethanesulfonate
CID 19028100
1-(3,4-dihydro-2H-chromen-2-ylmethyl)piperidin-4-amine
CID 22573243

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol (CID 67581666) is (2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol is O[C@@H](CC1CCc2ccccc2O1)C(F)(F)F.
What is the InChIKey of (2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZWJYKBUOORFDAZ-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H13F3O2/c13-12(14,15)11(16)7-9-6-5-8-3-1-2-4-10(8)17-9/h1-4,9,11,16H,5-7H2/t9?,11-/m0/s1.
What are the key properties of (2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol?
(2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 246.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(3,4-dihydro-2H-chromen-2-yl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 67581666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).