[(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

C12H15FO3 — CID 90027428

IUPAC[(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@H](c2ccccc2F)[C@@H](CO)O1
InChIInChI=1S/C12H15FO3/c1-12(2)15-10(7-14)11(16-12)8-5-3-4-6-9(8)13/h3-6,10-11,14H,7H2,1-2H3/t10-,11-/m1/s1
InChIKeyKCIYNTMFUNIJHH-GHMZBOCLSA-N
MW226.25 g/mol
LogP2.01
Rot. Bonds2

About [(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol

[(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (PubChem CID 90027428) has the molecular formula C12H15FO3 and a molecular weight of 226.25 g/mol. Its IUPAC name is [(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
PubChem CID90027428
Molecular FormulaC12H15FO3
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name[(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(C)O[C@H](c2ccccc2F)[C@@H](CO)O1
InChIInChI=1S/C12H15FO3/c1-12(2)15-10(7-14)11(16-12)8-5-3-4-6-9(8)13/h3-6,10-11,14H,7H2,1-2H3/t10-,11-/m1/s1
InChIKeyKCIYNTMFUNIJHH-GHMZBOCLSA-N
XLogP2.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol (CID 90027428) is [(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is CC1(C)O[C@H](c2ccccc2F)[C@@H](CO)O1.
What is the InChIKey of [(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is KCIYNTMFUNIJHH-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H15FO3/c1-12(2)15-10(7-14)11(16-12)8-5-3-4-6-9(8)13/h3-6,10-11,14H,7H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of [(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol?
[(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 226.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 90027428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).