2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol

C8H4F6O — CID 15113981

IUPAC2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol
SMILESOCC(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H4F6O/c9-2(1-15)3-4(10)6(12)8(14)7(13)5(3)11/h2,15H,1H2
InChIKeyFWRCAGKNYZKRMJ-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.38
Rot. Bonds2

About 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol

2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol (PubChem CID 15113981) has the molecular formula C8H4F6O and a molecular weight of 230.11 g/mol. Its IUPAC name is 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol.

Molecular Properties

Compound Name2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol
PubChem CID15113981
Molecular FormulaC8H4F6O
Molecular Weight230.11 g/mol
Exact Mass230.02
IUPAC Name2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol
SMILESOCC(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H4F6O/c9-2(1-15)3-4(10)6(12)8(14)7(13)5(3)11/h2,15H,1H2
InChIKeyFWRCAGKNYZKRMJ-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diol
CID 101111966
(2S)-2-amino-2-(2,3,4,5,6-pentafluorophenyl)ethanol;hydrochloride
CID 171210325
(3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
CID 131334834
(2S)-2-amino-2-(3-bromo-2,4,5,6-tetrafluorophenyl)ethanol
CID 66515715
(3R)-3-amino-2,2-difluoro-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
CID 171243144
(2S)-3-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diol
CID 125488813
(1R,3S)-3-amino-4,4,4-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol
CID 171236922
2-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
CID 131370592
3-chloro-1-(2,3,4,5,6-pentafluorophenyl)propane-1,2-diol
CID 171862548
1,2,3,4,5-pentafluoro-6-[1-(2,3,4,5,6-pentafluorophenyl)ethyl]benzene
CID 21113589
1,2,3,4-tetrafluoro-5,6-di(propan-2-yl)benzene
CID 150741990
(E)-3-ethyl-1-(2,3,4,5,6-pentafluorophenyl)pent-3-en-1-ol
CID 102122277

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol?
The IUPAC name of 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol (CID 15113981) is 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol.
What is the SMILES notation for 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol?
The canonical SMILES for 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol is OCC(F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol?
The InChIKey is FWRCAGKNYZKRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6O/c9-2(1-15)3-4(10)6(12)8(14)7(13)5(3)11/h2,15H,1H2.
What are the key properties of 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol?
2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol has a molecular weight of 230.11 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2,3,4,5,6-pentafluorophenyl)ethanol is sourced from PubChem (CID 15113981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).