(1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol

C8H7Cl2FO — CID 11557536

IUPAC(1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol
SMILESC[C@H](O)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m0/s1
InChIKeyJAOYKRSASYNDGH-BYPYZUCNSA-N
MW209.05 g/mol
LogP3.19
Rot. Bonds1

About (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol

(1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol (PubChem CID 11557536) has the molecular formula C8H7Cl2FO and a molecular weight of 209.05 g/mol. Its IUPAC name is (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol
PubChem CID11557536
Molecular FormulaC8H7Cl2FO
Molecular Weight209.05 g/mol
Exact Mass207.99
IUPAC Name(1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol
SMILESC[C@H](O)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m0/s1
InChIKeyJAOYKRSASYNDGH-BYPYZUCNSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.05
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-Dichlorobenzyl alcohol
CID 15684
Benzenemethanol, 2,6-dichloro-
CID 27156
Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
3,5-Dichlorobenzylic alcohol
CID 43236
Benzenemethanol, 4-chloro-alpha-(1-methylethyl)-
CID 202426
4-Chloro-alpha-(trichloromethyl)benzenemethanol
CID 21417
4-Chloro-alpha-ethylbenzenemethanol
CID 83774
2,4-Dichloro-alpha-methylbenzenemethanol
CID 92889
(R)-1-(4-chlorophenyl)-1-propanol
CID 10080818
(1R)-1-(3-chlorophenyl)propan-1-ol
CID 10920958
3-Chloro-alpha-ethylbenzenemethanol
CID 11147981
2-Chlorobenzyl alcohol
CID 28810

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol?
The IUPAC name of (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol (CID 11557536) is (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol?
The canonical SMILES for (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol is C[C@H](O)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol?
The InChIKey is JAOYKRSASYNDGH-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H7Cl2FO/c1-4(12)7-5(9)2-3-6(11)8(7)10/h2-4,12H,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol?
(1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol has a molecular weight of 209.05 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,6-dichloro-3-fluorophenyl)ethanol is sourced from PubChem (CID 11557536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).