2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol

C10H12ClFO — CID 117291223

IUPAC2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol
SMILESCC(F)c1c(Cl)cccc1CCO
InChIInChI=1S/C10H12ClFO/c1-7(12)10-8(5-6-13)3-2-4-9(10)11/h2-4,7,13H,5-6H2,1H3
InChIKeyKKJPSHYGYFVGNH-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.91
Rot. Bonds3

About 2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol

2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol (PubChem CID 117291223) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol
PubChem CID117291223
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol
SMILESCC(F)c1c(Cl)cccc1CCO
InChIInChI=1S/C10H12ClFO/c1-7(12)10-8(5-6-13)3-2-4-9(10)11/h2-4,7,13H,5-6H2,1H3
InChIKeyKKJPSHYGYFVGNH-UHFFFAOYSA-N
XLogP2.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-chloro-2-(1-fluoroethyl)phenyl]propanal
CID 117305936
3-[3-chloro-2-(1-fluoroethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117400631
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
3-chloro-2-(1-fluoroethyl)benzoic acid
CID 84671086
(1R,2S)-1-amino-1-(2-chloro-6-ethylphenyl)propan-2-ol
CID 130692242
3-chloro-2-(1-fluoroethyl)benzonitrile
CID 117279674
1,3-dichloro-2-propan-2-ylbenzene
CID 14028117
(1S)-1-(2,6-dichlorophenyl)propane-1,3-diol
CID 90422655
3-[3-fluoro-2-(1-fluoroethyl)phenyl]propanal
CID 117287739
3-(2,6-dichlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83924924
1-(2-bromoethyl)-3-chloro-2-(diiodomethyl)benzene
CID 175283086
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol?
The IUPAC name of 2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol (CID 117291223) is 2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol.
What is the SMILES notation for 2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol?
The canonical SMILES for 2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol is CC(F)c1c(Cl)cccc1CCO.
What is the InChIKey of 2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol?
The InChIKey is KKJPSHYGYFVGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-7(12)10-8(5-6-13)3-2-4-9(10)11/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol?
2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol has a molecular weight of 202.66 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-(1-fluoroethyl)phenyl]ethanol is sourced from PubChem (CID 117291223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).