(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol

C9H8F4O2 — CID 175586599

IUPAC(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
SMILESOC[C@H](O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8F4O2/c10-7-2-5(8(15)4-14)1-6(3-7)9(11,12)13/h1-3,8,14-15H,4H2/t8-/m0/s1
InChIKeyKNAVEUKYPVBVMB-QMMMGPOBSA-N
MW224.15 g/mol
LogP1.87
Rot. Bonds2

About (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol

(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol (PubChem CID 175586599) has the molecular formula C9H8F4O2 and a molecular weight of 224.15 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
PubChem CID175586599
Molecular FormulaC9H8F4O2
Molecular Weight224.15 g/mol
Exact Mass224.05
IUPAC Name(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
SMILESOC[C@H](O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H8F4O2/c10-7-2-5(8(15)4-14)1-6(3-7)9(11,12)13/h1-3,8,14-15H,4H2/t8-/m0/s1
InChIKeyKNAVEUKYPVBVMB-QMMMGPOBSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.15
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-diol;1-ethenyl-3,5-bis(trifluoromethyl)benzene
CID 157054170
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethane-1,2-diol;1-ethenyl-3,5-bis(trifluoromethyl)benzene;sulfane
CID 161312119
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methylpropylamino)ethanol
CID 115351272
2-cyclopentyl-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351165
(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
cyclopropyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351077
2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351095
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-methylsulfonylpropan-1-ol
CID 115351041
2-(5-chlorothiophen-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol
CID 115351112

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol (CID 175586599) is (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol is OC[C@H](O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol?
The InChIKey is KNAVEUKYPVBVMB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8F4O2/c10-7-2-5(8(15)4-14)1-6(3-7)9(11,12)13/h1-3,8,14-15H,4H2/t8-/m0/s1.
What are the key properties of (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol?
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol has a molecular weight of 224.15 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol is sourced from PubChem (CID 175586599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).