1-(5-chloro-2,4-difluorophenyl)ethanol

C8H7ClF2O — CID 117283331

IUPAC1-(5-chloro-2,4-difluorophenyl)ethanol
SMILESCC(O)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C8H7ClF2O/c1-4(12)5-2-6(9)8(11)3-7(5)10/h2-4,12H,1H3
InChIKeyIPSCKSMIKSOPNO-UHFFFAOYSA-N
MW192.59 g/mol
LogP2.67
Rot. Bonds1

About 1-(5-chloro-2,4-difluorophenyl)ethanol

1-(5-chloro-2,4-difluorophenyl)ethanol (PubChem CID 117283331) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is 1-(5-chloro-2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-2,4-difluorophenyl)ethanol
PubChem CID117283331
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name1-(5-chloro-2,4-difluorophenyl)ethanol
SMILESCC(O)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C8H7ClF2O/c1-4(12)5-2-6(9)8(11)3-7(5)10/h2-4,12H,1H3
InChIKeyIPSCKSMIKSOPNO-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.59
LogP ≤ 52.67
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-chloro-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84662920
(1R)-1-(2-bromo-4-chloro-5-fluorophenyl)ethanol
CID 58572415
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
6-chloro-2,3-difluoro-4-(1-hydroxyethyl)phenol
CID 117298062
4-chloro-5-fluoro-2-(2-hydroxypropyl)phenol
CID 117293006
1-(3-chloro-2,4,5-trifluorophenyl)ethanol
CID 117113843
4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
CID 117276801
1-(4-chloro-2,5-difluorophenyl)butan-1-ol
CID 115780952
2-bromo-5-fluoro-4-(1-hydroxyethyl)phenol
CID 84698228
(1R)-1-(4-chloro-2,5-difluorophenyl)-2-methylpropan-1-amine
CID 130706083
1-chloro-4-[chloro-(2,4,5-trifluorophenyl)methyl]-2,5-difluorobenzene
CID 103303789
1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol
CID 115819128

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-difluorophenyl)ethanol?
The IUPAC name of 1-(5-chloro-2,4-difluorophenyl)ethanol (CID 117283331) is 1-(5-chloro-2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(5-chloro-2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(5-chloro-2,4-difluorophenyl)ethanol is CC(O)c1cc(Cl)c(F)cc1F.
What is the InChIKey of 1-(5-chloro-2,4-difluorophenyl)ethanol?
The InChIKey is IPSCKSMIKSOPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O/c1-4(12)5-2-6(9)8(11)3-7(5)10/h2-4,12H,1H3.
What are the key properties of 1-(5-chloro-2,4-difluorophenyl)ethanol?
1-(5-chloro-2,4-difluorophenyl)ethanol has a molecular weight of 192.59 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-difluorophenyl)ethanol is sourced from PubChem (CID 117283331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).