1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol

C10H12ClF2NO2 — CID 171859147

IUPAC1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1c(F)cc(Cl)cc1F
InChIInChI=1S/C10H12ClF2NO2/c1-14-4-8(15)10(16)9-6(12)2-5(11)3-7(9)13/h2-3,8,10,14-16H,4H2,1H3
InChIKeyAYPFWUKATPTEKQ-UHFFFAOYSA-N
MW251.66 g/mol
LogP1.23
Rot. Bonds4

About 1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol

1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol (PubChem CID 171859147) has the molecular formula C10H12ClF2NO2 and a molecular weight of 251.66 g/mol. Its IUPAC name is 1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol.

Molecular Properties

Compound Name1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol
PubChem CID171859147
Molecular FormulaC10H12ClF2NO2
Molecular Weight251.66 g/mol
Exact Mass251.05
IUPAC Name1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol
SMILESCNCC(O)C(O)c1c(F)cc(Cl)cc1F
InChIInChI=1S/C10H12ClF2NO2/c1-14-4-8(15)10(16)9-6(12)2-5(11)3-7(9)13/h2-3,8,10,14-16H,4H2,1H3
InChIKeyAYPFWUKATPTEKQ-UHFFFAOYSA-N
XLogP1.23
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.66
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-1-(2,4,6-trichlorophenyl)propane-1,2-diol
CID 171859145
tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833329
3-(methylamino)-1-(2,3,6-trichlorophenyl)propane-1,2-diol
CID 171859151
3-(4-chloro-2,6-difluorophenyl)-4-(methylamino)butanethial
CID 142352413
3-azido-1-(4-chloro-2,6-difluorophenyl)propane-1,2-diol
CID 170827235
2-[5-chloro-2-[1,2-dihydroxy-3-(methylamino)propyl]phenyl]acetic acid
CID 171858485
1-(4-bromo-3-fluorophenyl)-3-(methylamino)propane-1,2-diol
CID 171859019
1-(2-fluoro-4,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859181
1-(2-chloro-6-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859154
1-anthracen-9-yl-3-(methylamino)propane-1,2-diol
CID 171858963
N-[3-(5-chloro-3-fluoro-2-hydroxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830014
1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol
CID 171857917

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol?
The IUPAC name of 1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol (CID 171859147) is 1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol.
What is the SMILES notation for 1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol?
The canonical SMILES for 1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol is CNCC(O)C(O)c1c(F)cc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol?
The InChIKey is AYPFWUKATPTEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO2/c1-14-4-8(15)10(16)9-6(12)2-5(11)3-7(9)13/h2-3,8,10,14-16H,4H2,1H3.
What are the key properties of 1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol?
1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol has a molecular weight of 251.66 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,6-difluorophenyl)-3-(methylamino)propane-1,2-diol is sourced from PubChem (CID 171859147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).