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

C14H12Cl2FNO — CID 89490664

IUPAC(2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol
SMILESN[C@H](c1ccc(Cl)cc1F)C(O)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c15-9-3-1-2-8(6-9)14(19)13(18)11-5-4-10(16)7-12(11)17/h1-7,13-14,19H,18H2/t13-,14?/m1/s1
InChIKeyOQORBXPSHZJCJQ-KWCCSABGSA-N
MW300.16 g/mol
LogP3.87
Rot. Bonds3

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

(2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol (PubChem CID 89490664) has the molecular formula C14H12Cl2FNO and a molecular weight of 300.16 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol
PubChem CID89490664
Molecular FormulaC14H12Cl2FNO
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name(2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol
SMILESN[C@H](c1ccc(Cl)cc1F)C(O)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2FNO/c15-9-3-1-2-8(6-9)14(19)13(18)11-5-4-10(16)7-12(11)17/h1-7,13-14,19H,18H2/t13-,14?/m1/s1
InChIKeyOQORBXPSHZJCJQ-KWCCSABGSA-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
(2S)-2-amino-1-(3-chlorophenyl)-2-(4-chlorophenyl)ethanol
CID 118633773
2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 123406451
(2R)-2-amino-1-(3-chlorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 89490748
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol
CID 59446295
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
2-amino-1-(3-chlorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 123373360
(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171159862
(3-chlorophenyl)-fluoromethanol
CID 70239224

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol (CID 89490664) is (2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol is N[C@H](c1ccc(Cl)cc1F)C(O)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol?
The InChIKey is OQORBXPSHZJCJQ-KWCCSABGSA-N. The full InChI is InChI=1S/C14H12Cl2FNO/c15-9-3-1-2-8(6-9)14(19)13(18)11-5-4-10(16)7-12(11)17/h1-7,13-14,19H,18H2/t13-,14?/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol?
(2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-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 (2R)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 89490664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).