1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol

C10H12ClF2NO — CID 84699082

IUPAC1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(C(F)F)cc1Cl
InChIInChI=1S/C10H12ClF2NO/c1-14-5-9(15)7-3-2-6(10(12)13)4-8(7)11/h2-4,9-10,14-15H,5H2,1H3
InChIKeyYXIGBOUDOWIAPA-UHFFFAOYSA-N
MW235.66 g/mol
LogP2.53
Rot. Bonds4

About 1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol

1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol (PubChem CID 84699082) has the molecular formula C10H12ClF2NO and a molecular weight of 235.66 g/mol. Its IUPAC name is 1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol
PubChem CID84699082
Molecular FormulaC10H12ClF2NO
Molecular Weight235.66 g/mol
Exact Mass235.06
IUPAC Name1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(C(F)F)cc1Cl
InChIInChI=1S/C10H12ClF2NO/c1-14-5-9(15)7-3-2-6(10(12)13)4-8(7)11/h2-4,9-10,14-15H,5H2,1H3
InChIKeyYXIGBOUDOWIAPA-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-chloro-4-methylphenyl)-2-(methylamino)ethanol
CID 83699915
1-[5-chloro-2-(difluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84699078
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
2-[2-chloro-4-(difluoromethyl)phenyl]propan-1-amine
CID 117313656
1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
CID 117317266
1-(2-chloro-4-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 104922106
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84707989
1-[2-chloro-5-(difluoromethyl)phenyl]ethanol
CID 84674717
1-[2-chloro-5-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84673745
1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 117333852
1-(5-chloro-2-methoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117398229
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol (CID 84699082) is 1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol is CNCC(O)c1ccc(C(F)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol?
The InChIKey is YXIGBOUDOWIAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2NO/c1-14-5-9(15)7-3-2-6(10(12)13)4-8(7)11/h2-4,9-10,14-15H,5H2,1H3.
What are the key properties of 1-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol?
1-[2-chloro-4-(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-[2-chloro-4-(difluoromethyl)phenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 84699082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).