2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol

C14H12Cl2FNO — CID 114488490

IUPAC2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
SMILESOCC(Nc1ccc(Cl)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C14H12Cl2FNO/c15-9-4-6-10(7-5-9)18-13(8-19)11-2-1-3-12(16)14(11)17/h1-7,13,18-19H,8H2
InChIKeyGWXYFZNBLHTEPL-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.28
Rot. Bonds4

About 2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol

2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol (PubChem CID 114488490) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
PubChem CID114488490
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
SMILESOCC(Nc1ccc(Cl)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C14H12Cl2FNO/c15-9-4-6-10(7-5-9)18-13(8-19)11-2-1-3-12(16)14(11)17/h1-7,13,18-19H,8H2
InChIKeyGWXYFZNBLHTEPL-UHFFFAOYSA-N
XLogP4.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488475
2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 112704196
(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318
2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 114488494
2-(4-bromoanilino)-2-(2-chlorophenyl)ethanol
CID 61048256
2-(2-bromo-5-chlorophenyl)-2-(4-chloroanilino)ethanol
CID 66156093
(2R)-2-[[(1S)-1-(3-chloro-2-fluorophenyl)propyl]amino]propan-1-ol
CID 99636952
N-[1-(3-chloro-2-fluorophenyl)-2-hydroxyethyl]-2-methylpropane-2-sulfinamide
CID 172524574
2-(3-fluoroanilino)-2-(2-fluorophenyl)ethanol
CID 61048110
2-(2-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049315
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049466
4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693464

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol (CID 114488490) is 2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol is OCC(Nc1ccc(Cl)cc1)c1cccc(Cl)c1F.
What is the InChIKey of 2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol?
The InChIKey is GWXYFZNBLHTEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-9-4-6-10(7-5-9)18-13(8-19)11-2-1-3-12(16)14(11)17/h1-7,13,18-19H,8H2.
What are the key properties of 2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol?
2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol has a molecular weight of 300.16 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 114488490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).