1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol

C10H12ClF2NO — CID 84699078

IUPAC1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)ccc1C(F)F
InChIInChI=1S/C10H12ClF2NO/c1-14-5-9(15)8-4-6(11)2-3-7(8)10(12)13/h2-4,9-10,14-15H,5H2,1H3
InChIKeyPPFQUPOYAGOATC-UHFFFAOYSA-N
MW235.66 g/mol
LogP2.53
Rot. Bonds4

About 1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol

1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol (PubChem CID 84699078) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is 1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol
PubChem CID84699078
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(Cl)ccc1C(F)F
InChIInChI=1S/C10H12ClF2NO/c1-14-5-9(15)8-4-6(11)2-3-7(8)10(12)13/h2-4,9-10,14-15H,5H2,1H3
InChIKeyPPFQUPOYAGOATC-UHFFFAOYSA-N
XLogP2.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-5-chlorophenyl)-2-(methylamino)ethanol
CID 105453261
1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699082
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(2-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
1-(2-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 83700875
1-(5-chloro-2-fluorophenyl)-2-hydrazinylethanol
CID 82649992
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301
1-(4-chloro-2-fluorophenyl)-3-(methylamino)propan-1-ol
CID 167001188
1-(3-chloro-2,4-dimethylphenyl)-2-(methylamino)ethanol
CID 84783153
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84707989

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol (CID 84699078) is 1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1cc(Cl)ccc1C(F)F.
What is the InChIKey of 1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol?
The InChIKey is PPFQUPOYAGOATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO/c1-14-5-9(15)8-4-6(11)2-3-7(8)10(12)13/h2-4,9-10,14-15H,5H2,1H3.
What are the key properties of 1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol?
1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol has a molecular weight of 235.66 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 84699078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).