(1S)-2-chloro-1-(3,4-difluorophenyl)ethanol

C8H7ClF2O — CID 25324204

IUPAC(1S)-2-chloro-1-(3,4-difluorophenyl)ethanol
SMILESO[C@H](CCl)c1ccc(F)c(F)c1
InChIInChI=1S/C8H7ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,12H,4H2/t8-/m1/s1
InChIKeyRYOLLNVCYSUXCP-MRVPVSSYSA-N
MW192.59 g/mol
LogP2.24
Rot. Bonds2

About (1S)-2-chloro-1-(3,4-difluorophenyl)ethanol

(1S)-2-chloro-1-(3,4-difluorophenyl)ethanol (PubChem CID 25324204) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is (1S)-2-chloro-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-2-chloro-1-(3,4-difluorophenyl)ethanol
PubChem CID25324204
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name(1S)-2-chloro-1-(3,4-difluorophenyl)ethanol
SMILESO[C@H](CCl)c1ccc(F)c(F)c1
InChIInChI=1S/C8H7ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,12H,4H2/t8-/m1/s1
InChIKeyRYOLLNVCYSUXCP-MRVPVSSYSA-N
XLogP2.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.59
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-chloro-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of (1S)-2-chloro-1-(3,4-difluorophenyl)ethanol (CID 25324204) is (1S)-2-chloro-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for (1S)-2-chloro-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for (1S)-2-chloro-1-(3,4-difluorophenyl)ethanol is O[C@H](CCl)c1ccc(F)c(F)c1.
What is the InChIKey of (1S)-2-chloro-1-(3,4-difluorophenyl)ethanol?
The InChIKey is RYOLLNVCYSUXCP-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H7ClF2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,12H,4H2/t8-/m1/s1.
What are the key properties of (1S)-2-chloro-1-(3,4-difluorophenyl)ethanol?
(1S)-2-chloro-1-(3,4-difluorophenyl)ethanol has a molecular weight of 192.59 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-chloro-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 25324204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).