2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol

C14H12Cl2FNO — CID 123991915

IUPAC2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
SMILESNC(c1ccc(Cl)cc1)C(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c15-10-4-1-8(2-5-10)13(18)14(19)9-3-6-12(17)11(16)7-9/h1-7,13-14,19H,18H2
InChIKeyGFWSTDZTGQNFBB-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.87
Rot. Bonds3

About 2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol

2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol (PubChem CID 123991915) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is 2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
PubChem CID123991915
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
SMILESNC(c1ccc(Cl)cc1)C(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c15-10-4-1-8(2-5-10)13(18)14(19)9-3-6-12(17)11(16)7-9/h1-7,13-14,19H,18H2
InChIKeyGFWSTDZTGQNFBB-UHFFFAOYSA-N
XLogP3.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 89490826
(1S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118631975
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
(2S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118633773
2-amino-3-(3-chloro-4-fluorophenyl)-3-hydroxypropanoic acid
CID 81155550
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
2-amino-1-(3,4-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 142693429
1,3-diamino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 116942560
2-amino-1-(3-chloro-4-fluorophenyl)-4-methylpentan-1-ol
CID 81152208
2-amino-1-(3,4-difluorophenyl)-2-phenylethanol
CID 62718129
2-amino-2-(4-chlorophenyl)-1-(3-methylphenyl)ethanol
CID 123458575
(3R,4S)-4-(3-chloro-4-fluorophenyl)-3,4-dihydroxybutan-2-one
CID 101434989

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol?
The IUPAC name of 2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol (CID 123991915) is 2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol is NC(c1ccc(Cl)cc1)C(O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol?
The InChIKey is GFWSTDZTGQNFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-10-4-1-8(2-5-10)13(18)14(19)9-3-6-12(17)11(16)7-9/h1-7,13-14,19H,18H2.
What are the key properties of 2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol?
2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol has a molecular weight of 300.16 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanol is sourced from PubChem (CID 123991915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).