1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol

C11H14F3NO3 — CID 171858524

IUPAC1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(F)cc1OC(F)F
InChIInChI=1S/C11H14F3NO3/c1-15-5-8(16)10(17)7-3-2-6(12)4-9(7)18-11(13)14/h2-4,8,10-11,15-17H,5H2,1H3
InChIKeyWRRUMGFZNCPGAE-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.04
Rot. Bonds6

About 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol

1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol (PubChem CID 171858524) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol
PubChem CID171858524
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1ccc(F)cc1OC(F)F
InChIInChI=1S/C11H14F3NO3/c1-15-5-8(16)10(17)7-3-2-6(12)4-9(7)18-11(13)14/h2-4,8,10-11,15-17H,5H2,1H3
InChIKeyWRRUMGFZNCPGAE-UHFFFAOYSA-N
XLogP1.04
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropanoate
CID 171866682
9H-fluoren-9-ylmethyl N-[3-[2-(difluoromethoxy)-4-fluorophenyl]-2,3-dihydroxypropyl]carbamate
CID 170834756
2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 167302491
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859159
benzyl N-[4-[2-(difluoromethoxy)-4-fluorophenyl]-3,4-dihydroxybutyl]carbamate
CID 171889008
1-(2-fluoro-4,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859181
N-[1-[2-(difluoromethoxy)-4-fluorophenyl]ethyl]propan-1-amine
CID 63064638
4-bromo-1-(4-fluoro-2-methoxyphenyl)butane-1,2-diol
CID 171891904
1-[2-amino-4-(trifluoromethoxy)phenyl]-3-(methylamino)propane-1,2-diol
CID 171858863
1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 84746272

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol (CID 171858524) is 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1ccc(F)cc1OC(F)F.
What is the InChIKey of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol?
The InChIKey is WRRUMGFZNCPGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-15-5-8(16)10(17)7-3-2-6(12)4-9(7)18-11(13)14/h2-4,8,10-11,15-17H,5H2,1H3.
What are the key properties of 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol?
1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol has a molecular weight of 265.23 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)-4-fluorophenyl]-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171858524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).