2-chloro-2-(4-fluorophenyl)ethanol

C8H8ClFO — CID 57194845

IUPAC2-chloro-2-(4-fluorophenyl)ethanol
SMILESOCC(Cl)c1ccc(F)cc1
InChIInChI=1S/C8H8ClFO/c9-8(5-11)6-1-3-7(10)4-2-6/h1-4,8,11H,5H2
InChIKeyHXFQVYZWTCMRGN-UHFFFAOYSA-N
MW174.60 g/mol
LogP2.10
Rot. Bonds2

About 2-chloro-2-(4-fluorophenyl)ethanol

2-chloro-2-(4-fluorophenyl)ethanol (PubChem CID 57194845) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is 2-chloro-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-chloro-2-(4-fluorophenyl)ethanol
PubChem CID57194845
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name2-chloro-2-(4-fluorophenyl)ethanol
SMILESOCC(Cl)c1ccc(F)cc1
InChIInChI=1S/C8H8ClFO/c9-8(5-11)6-1-3-7(10)4-2-6/h1-4,8,11H,5H2
InChIKeyHXFQVYZWTCMRGN-UHFFFAOYSA-N
XLogP2.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-chloro-2-(4-fluorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-2-[4-(1-chloro-2-hydroxyethyl)phenyl]ethanol
CID 19598878
2-[[2-chloro-2-(4-fluorophenyl)ethyl]-(2-hydroxyethyl)amino]ethanol
CID 82214488
1-(1-chloro-3,3,3-trifluoropropyl)-4-fluorobenzene
CID 61083121
1,3,5,7-tetrachloro-1,7-bis(4-fluorophenyl)heptan-4-one
CID 150091760
2-amino-2-(4-fluorophenyl)ethanol
CID 14853201
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
5-chloro-5-(4-fluorophenyl)pentan-2-one
CID 82126925
(2S)-3-amino-2-(4-fluorophenyl)propan-1-ol
CID 46911819
2,3-dibromo-3-(4-fluorophenyl)propan-1-ol
CID 139985388
1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene
CID 63519540
1-[2-chloro-2-(4-ethylphenyl)ethyl]-4-fluorobenzene
CID 63431842
1-[1-chloro-2-(4-fluorophenyl)ethyl]-4-iodobenzene
CID 55224826

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-fluorophenyl)ethanol?
The IUPAC name of 2-chloro-2-(4-fluorophenyl)ethanol (CID 57194845) is 2-chloro-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-chloro-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-chloro-2-(4-fluorophenyl)ethanol is OCC(Cl)c1ccc(F)cc1.
What is the InChIKey of 2-chloro-2-(4-fluorophenyl)ethanol?
The InChIKey is HXFQVYZWTCMRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO/c9-8(5-11)6-1-3-7(10)4-2-6/h1-4,8,11H,5H2.
What are the key properties of 2-chloro-2-(4-fluorophenyl)ethanol?
2-chloro-2-(4-fluorophenyl)ethanol has a molecular weight of 174.60 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 57194845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).