[(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol

C12H12F2O2 — CID 153410093

IUPAC[(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
SMILESOC[C@@H]1CCC(c2ccc(F)cc2F)=CO1
InChIInChI=1S/C12H12F2O2/c13-9-2-4-11(12(14)5-9)8-1-3-10(6-15)16-7-8/h2,4-5,7,10,15H,1,3,6H2/t10-/m0/s1
InChIKeyJPRIZNAFFSCUFI-JTQLQIEISA-N
MW226.22 g/mol
LogP2.48
Rot. Bonds2

About [(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol

[(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol (PubChem CID 153410093) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is [(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
PubChem CID153410093
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name[(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
SMILESOC[C@@H]1CCC(c2ccc(F)cc2F)=CO1
InChIInChI=1S/C12H12F2O2/c13-9-2-4-11(12(14)5-9)8-1-3-10(6-15)16-7-8/h2,4-5,7,10,15H,1,3,6H2/t10-/m0/s1
InChIKeyJPRIZNAFFSCUFI-JTQLQIEISA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol
CID 175232862
N-[[5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2,2-trifluoroethanamine
CID 175232836
(2S)-2-cyclopropyl-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 153410062
(2R)-2-(difluoromethyl)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 153410075
2-[(1S)-1-(difluoromethoxy)ethyl]-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran
CID 174959767
3-(2,4-difluorophenyl)cyclopent-2-en-1-amine
CID 65174225
3-(2,4-difluorophenyl)cyclohex-2-en-1-ol
CID 65177210
3-(2,4-difluorophenyl)cyclohept-2-en-1-ol
CID 107383480
[5-(2,4-difluorophenyl)-3-ethyl-2-methyl-3,4-dihydropyran-2-yl]methanol
CID 153410052
(2R)-5-(2,4-difluorophenyl)-2-ethyl-2-(2,2,2-trifluoroethyl)-3,4-dihydropyran
CID 153410094
4-(2,4-difluorophenyl)pyridine
CID 45036856
5-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410301

Frequently Asked Questions

What is the IUPAC name of [(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol?
The IUPAC name of [(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol (CID 153410093) is [(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol.
What is the SMILES notation for [(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol?
The canonical SMILES for [(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol is OC[C@@H]1CCC(c2ccc(F)cc2F)=CO1.
What is the InChIKey of [(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol?
The InChIKey is JPRIZNAFFSCUFI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12F2O2/c13-9-2-4-11(12(14)5-9)8-1-3-10(6-15)16-7-8/h2,4-5,7,10,15H,1,3,6H2/t10-/m0/s1.
What are the key properties of [(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol?
[(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol has a molecular weight of 226.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-5-(2,4-difluorophenyl)-3,4-dihydro-2H-pyran-2-yl]methanol is sourced from PubChem (CID 153410093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).