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

C14H11Cl2FO — CID 64712924

IUPAC1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol
SMILESOC(Cc1cccc(Cl)c1)c1cccc(Cl)c1F
InChIInChI=1S/C14H11Cl2FO/c15-10-4-1-3-9(7-10)8-13(18)11-5-2-6-12(16)14(11)17/h1-7,13,18H,8H2
InChIKeyQTSMTCVRTDXRLE-UHFFFAOYSA-N
MW285.14 g/mol
LogP4.41
Rot. Bonds3

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

1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol (PubChem CID 64712924) has the molecular formula C14H11Cl2FO and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol
PubChem CID64712924
Molecular FormulaC14H11Cl2FO
Molecular Weight285.14 g/mol
Exact Mass284.02
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol
SMILESOC(Cc1cccc(Cl)c1)c1cccc(Cl)c1F
InChIInChI=1S/C14H11Cl2FO/c15-10-4-1-3-9(7-10)8-13(18)11-5-2-6-12(16)14(11)17/h1-7,13,18H,8H2
InChIKeyQTSMTCVRTDXRLE-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 81263221
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanamine
CID 64712457
1-(3-chloro-2-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103047803
2-(2-amino-4-pyridinyl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 64712763
1-(3-chloro-2-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 64712768
1-(3-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanol
CID 64712609
1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148
2-(3-chlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62387586
2-(3-chlorophenyl)-1-(4-fluorophenyl)ethanol
CID 60797606
2-(3-chloro-4-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 103038949
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 60797621
1-(3-chloro-2-fluorophenyl)-2-thiophen-2-ylethanol
CID 64713103

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol (CID 64712924) is 1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol is OC(Cc1cccc(Cl)c1)c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol?
The InChIKey is QTSMTCVRTDXRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO/c15-10-4-1-3-9(7-10)8-13(18)11-5-2-6-12(16)14(11)17/h1-7,13,18H,8H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol?
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol has a molecular weight of 285.14 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol is sourced from PubChem (CID 64712924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).