2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol

C15H14Cl2FNO — CID 79049935

IUPAC2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
SMILESCc1cc(F)cc(NC(CO)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c1-9-5-10(18)7-11(6-9)19-14(8-20)15-12(16)3-2-4-13(15)17/h2-7,14,19-20H,8H2,1H3
InChIKeyMHJXPNMSWKHTEV-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.59
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol

2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol (PubChem CID 79049935) has the molecular formula C15H14Cl2FNO and a molecular weight of 314.19 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
PubChem CID79049935
Molecular FormulaC15H14Cl2FNO
Molecular Weight314.19 g/mol
Exact Mass313.04
IUPAC Name2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
SMILESCc1cc(F)cc(NC(CO)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H14Cl2FNO/c1-9-5-10(18)7-11(6-9)19-14(8-20)15-12(16)3-2-4-13(15)17/h2-7,14,19-20H,8H2,1H3
InChIKeyMHJXPNMSWKHTEV-UHFFFAOYSA-N
XLogP4.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol (CID 79049935) is 2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol is Cc1cc(F)cc(NC(CO)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
The InChIKey is MHJXPNMSWKHTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2FNO/c1-9-5-10(18)7-11(6-9)19-14(8-20)15-12(16)3-2-4-13(15)17/h2-7,14,19-20H,8H2,1H3.
What are the key properties of 2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol?
2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol has a molecular weight of 314.19 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol is sourced from PubChem (CID 79049935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).