2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol

C14H12Cl2FNO — CID 61048365

IUPAC2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol
SMILESOCC(Nc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c15-10-5-9(6-11(16)7-10)14(8-19)18-13-3-1-12(17)2-4-13/h1-7,14,18-19H,8H2
InChIKeyGHNNVCHULIWKOJ-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.28
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol

2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol (PubChem CID 61048365) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol
PubChem CID61048365
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol
SMILESOCC(Nc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c15-10-5-9(6-11(16)7-10)14(8-19)18-13-3-1-12(17)2-4-13/h1-7,14,18-19H,8H2
InChIKeyGHNNVCHULIWKOJ-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-(3-chloro-4-methoxyphenyl)-2-(4-fluoroanilino)ethanol
CID 65026319
4-[1-(4-chloroanilino)-2-hydroxyethyl]-2-fluorophenol
CID 107693464
2-(4-fluoroanilino)-2-thiophen-3-ylethanol
CID 61050355
(2R)-2-(4-fluoroanilino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 46869838
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)acetamide
CID 61005627
2-(4-fluoroanilino)-2-(4-nitrophenyl)ethanol
CID 75238031
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 65376445
2-(3-chloro-5-fluorophenyl)-2-(2-methoxyanilino)ethanol
CID 114454325
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 65380315
2-(4-bromoanilino)-2-(3-bromo-4-fluorophenyl)ethanol
CID 61049859
2-(4-fluoro-3-methylphenyl)-2-(4-methylanilino)ethanol
CID 62122602

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol (CID 61048365) is 2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol is OCC(Nc1ccc(F)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol?
The InChIKey is GHNNVCHULIWKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-10-5-9(6-11(16)7-10)14(8-19)18-13-3-1-12(17)2-4-13/h1-7,14,18-19H,8H2.
What are the key properties of 2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol?
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)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-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol is sourced from PubChem (CID 61048365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).