(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol

C8H5F5O — CID 6993305

IUPAC(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
SMILESC[C@H](O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3/t2-/m0/s1
InChIKeyWYUNHWKTLDBPLE-REOHCLBHSA-N
MW212.12 g/mol
LogP2.44
Rot. Bonds1

About (1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol

(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol (PubChem CID 6993305) has the molecular formula C8H5F5O and a molecular weight of 212.12 g/mol. Its IUPAC name is (1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
PubChem CID6993305
Molecular FormulaC8H5F5O
Molecular Weight212.12 g/mol
Exact Mass212.03
IUPAC Name(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
SMILESC[C@H](O)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3/t2-/m0/s1
InChIKeyWYUNHWKTLDBPLE-REOHCLBHSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.12
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol?
The IUPAC name of (1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol (CID 6993305) is (1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol.
What is the SMILES notation for (1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol?
The canonical SMILES for (1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol is C[C@H](O)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol?
The InChIKey is WYUNHWKTLDBPLE-REOHCLBHSA-N. The full InChI is InChI=1S/C8H5F5O/c1-2(14)3-4(9)6(11)8(13)7(12)5(3)10/h2,14H,1H3/t2-/m0/s1.
What are the key properties of (1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol?
(1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol has a molecular weight of 212.12 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3,4,5,6-pentafluorophenyl)ethanol is sourced from PubChem (CID 6993305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).