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

C14H12Cl2FNO — CID 114488475

IUPAC2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
SMILESOCC(Nc1ccccc1Cl)c1cccc(Cl)c1F
InChIInChI=1S/C14H12Cl2FNO/c15-10-5-1-2-7-12(10)18-13(8-19)9-4-3-6-11(16)14(9)17/h1-7,13,18-19H,8H2
InChIKeySTXUPMCPKWVNBX-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.28
Rot. Bonds4

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

2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol (PubChem CID 114488475) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
PubChem CID114488475
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
SMILESOCC(Nc1ccccc1Cl)c1cccc(Cl)c1F
InChIInChI=1S/C14H12Cl2FNO/c15-10-5-1-2-7-12(10)18-13(8-19)9-4-3-6-11(16)14(9)17/h1-7,13,18-19H,8H2
InChIKeySTXUPMCPKWVNBX-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-(4-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol
CID 114488490
2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 112704196
(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318
2-(4-bromo-2-fluorophenyl)-2-(2-chloroanilino)ethanol
CID 61047741
2-(3-chloro-2-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 114488494
2-(2-chloroanilino)-2-[3-(difluoromethyl)phenyl]ethanol
CID 115528114
2-(2-chloroanilino)-2-(4-chlorophenyl)ethanol
CID 61048136
(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
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
1-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 65378133
2-(2-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049315

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol (CID 114488475) is 2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol is OCC(Nc1ccccc1Cl)c1cccc(Cl)c1F.
What is the InChIKey of 2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol?
The InChIKey is STXUPMCPKWVNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-10-5-1-2-7-12(10)18-13(8-19)9-4-3-6-11(16)14(9)17/h1-7,13,18-19H,8H2.
What are the key properties of 2-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol?
2-(2-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-(2-chloroanilino)-2-(3-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 114488475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).