3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol

C16H18FNO2 — CID 68800110

IUPAC3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol
SMILESCN(c1ccccc1)C(c1ccccc1F)C(O)CO
InChIInChI=1S/C16H18FNO2/c1-18(12-7-3-2-4-8-12)16(15(20)11-19)13-9-5-6-10-14(13)17/h2-10,15-16,19-20H,11H2,1H3
InChIKeyOEQFOMCSDGXLHD-UHFFFAOYSA-N
MW275.32 g/mol
LogP2.36
Rot. Bonds5

About 3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol

3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol (PubChem CID 68800110) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol
PubChem CID68800110
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol
SMILESCN(c1ccccc1)C(c1ccccc1F)C(O)CO
InChIInChI=1S/C16H18FNO2/c1-18(12-7-3-2-4-8-12)16(15(20)11-19)13-9-5-6-10-14(13)17/h2-10,15-16,19-20H,11H2,1H3
InChIKeyOEQFOMCSDGXLHD-UHFFFAOYSA-N
XLogP2.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol?
The IUPAC name of 3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol (CID 68800110) is 3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol.
What is the SMILES notation for 3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol?
The canonical SMILES for 3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol is CN(c1ccccc1)C(c1ccccc1F)C(O)CO.
What is the InChIKey of 3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol?
The InChIKey is OEQFOMCSDGXLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-18(12-7-3-2-4-8-12)16(15(20)11-19)13-9-5-6-10-14(13)17/h2-10,15-16,19-20H,11H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol?
3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol has a molecular weight of 275.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-(N-methylanilino)propane-1,2-diol is sourced from PubChem (CID 68800110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).