(1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol

C14H9F5O — CID 10684746

IUPAC(1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol
SMILESO[C@H](Cc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H9F5O/c15-10-9(11(16)13(18)14(19)12(10)17)8(20)6-7-4-2-1-3-5-7/h1-5,8,20H,6H2/t8-/m1/s1
InChIKeyZGOBGMUNZUGLEY-MRVPVSSYSA-N
MW288.21 g/mol
LogP3.66
Rot. Bonds3

About (1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol

(1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol (PubChem CID 10684746) has the molecular formula C14H9F5O and a molecular weight of 288.21 g/mol. Its IUPAC name is (1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol.

Molecular Properties

Compound Name(1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol
PubChem CID10684746
Molecular FormulaC14H9F5O
Molecular Weight288.21 g/mol
Exact Mass288.06
IUPAC Name(1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol
SMILESO[C@H](Cc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H9F5O/c15-10-9(11(16)13(18)14(19)12(10)17)8(20)6-7-4-2-1-3-5-7/h1-5,8,20H,6H2/t8-/m1/s1
InChIKeyZGOBGMUNZUGLEY-MRVPVSSYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.66
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

1-(2,3,4,5,6-pentafluorophenyl)-3-phenylpropan-1-ol
CID 114978840
[1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethyl]hydrazine
CID 105283118
(1R)-1-fluoro-2-phenylethanol
CID 163366132
(1R)-1,2-diphenylethanol
CID 1379022
1-(3-bromo-2-fluorophenyl)-2-phenylethanol
CID 106644408
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
(1R)-2-(4-fluorophenyl)-1-phenylethanol
CID 93312313
1-[4-(difluoromethyl)phenyl]-2-phenylethanol
CID 115524931
(1S,2R)-1-amino-3-phenyl-1-(2,3,5,6-tetrafluorophenyl)propan-2-ol
CID 171269901
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
1,6-diphenylhexane-2,5-diol
CID 15072586
2-[(1S)-1-hydroxy-2-phenylethyl]phenol
CID 86312713

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol?
The IUPAC name of (1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol (CID 10684746) is (1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol.
What is the SMILES notation for (1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol?
The canonical SMILES for (1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol is O[C@H](Cc1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol?
The InChIKey is ZGOBGMUNZUGLEY-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H9F5O/c15-10-9(11(16)13(18)14(19)12(10)17)8(20)6-7-4-2-1-3-5-7/h1-5,8,20H,6H2/t8-/m1/s1.
What are the key properties of (1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol?
(1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol has a molecular weight of 288.21 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3,4,5,6-pentafluorophenyl)-2-phenylethanol is sourced from PubChem (CID 10684746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).