[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol

C12H16FNO2 — CID 23437091

IUPAC[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol
SMILESCC1(C)COC(c2ccc(CO)cc2F)N1
InChIInChI=1S/C12H16FNO2/c1-12(2)7-16-11(14-12)9-4-3-8(6-15)5-10(9)13/h3-5,11,14-15H,6-7H2,1-2H3
InChIKeyJOJAMWCPKRTINR-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.72
Rot. Bonds2

About [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol

[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol (PubChem CID 23437091) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol
PubChem CID23437091
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol
SMILESCC1(C)COC(c2ccc(CO)cc2F)N1
InChIInChI=1S/C12H16FNO2/c1-12(2)7-16-11(14-12)9-4-3-8(6-15)5-10(9)13/h3-5,11,14-15H,6-7H2,1-2H3
InChIKeyJOJAMWCPKRTINR-UHFFFAOYSA-N
XLogP1.72
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol?
The IUPAC name of [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol (CID 23437091) is [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol?
The canonical SMILES for [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol is CC1(C)COC(c2ccc(CO)cc2F)N1.
What is the InChIKey of [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol?
The InChIKey is JOJAMWCPKRTINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(2)7-16-11(14-12)9-4-3-8(6-15)5-10(9)13/h3-5,11,14-15H,6-7H2,1-2H3.
What are the key properties of [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol?
[4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol has a molecular weight of 225.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-dimethyl-1,3-oxazolidin-2-yl)-3-fluorophenyl]methanol is sourced from PubChem (CID 23437091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).