1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol

C9H10ClF2NO — CID 117317266

IUPAC1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(F)c(F)c(Cl)c1
InChIInChI=1S/C9H10ClF2NO/c1-13-4-8(14)5-2-6(10)9(12)7(11)3-5/h2-3,8,13-14H,4H2,1H3
InChIKeyGPZCZECVASJCIX-UHFFFAOYSA-N
MW221.63 g/mol
LogP1.87
Rot. Bonds3

About 1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol

1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol (PubChem CID 117317266) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
PubChem CID117317266
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(F)c(F)c(Cl)c1
InChIInChI=1S/C9H10ClF2NO/c1-13-4-8(14)5-2-6(10)9(12)7(11)3-5/h2-3,8,13-14H,4H2,1H3
InChIKeyGPZCZECVASJCIX-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
1-(3-chloro-2-fluoro-5-methylphenyl)-2-(methylamino)ethanol
CID 84683309
1-(3-chloro-2-fluoro-5,6-dimethylphenyl)-2-(methylamino)ethanol
CID 117335550
1-(5-chlorothiophen-3-yl)-2-(methylamino)ethanol
CID 82656370
1-(7-fluoro-1,3-benzodioxol-5-yl)-2-(methylamino)ethanol
CID 117303666
1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
CID 117382385
3-fluoro-2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]benzoic acid
CID 117329855
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699082
ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
CID 143733652
ethyl 2-(3-chloro-4,5-difluorophenyl)-2-hydroxyacetate
CID 117379961

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol (CID 117317266) is 1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(F)c(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol?
The InChIKey is GPZCZECVASJCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c1-13-4-8(14)5-2-6(10)9(12)7(11)3-5/h2-3,8,13-14H,4H2,1H3.
What are the key properties of 1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol?
1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol has a molecular weight of 221.63 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 117317266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).