(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol

C8H6ClF3O2 — CID 130359004

IUPAC(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
SMILESO[C@@H](Cl)c1ccccc1OC(F)(F)F
InChIInChI=1S/C8H6ClF3O2/c9-7(13)5-3-1-2-4-6(5)14-8(10,11)12/h1-4,7,13H/t7-/m1/s1
InChIKeyJLCPJPZYRBDBLL-SSDOTTSWSA-N
MW226.58 g/mol
LogP2.81
Rot. Bonds2

About (S)-chloro-[2-(trifluoromethoxy)phenyl]methanol

(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol (PubChem CID 130359004) has the molecular formula C8H6ClF3O2 and a molecular weight of 226.58 g/mol. Its IUPAC name is (S)-chloro-[2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
PubChem CID130359004
Molecular FormulaC8H6ClF3O2
Molecular Weight226.58 g/mol
Exact Mass226.00
IUPAC Name(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
SMILESO[C@@H](Cl)c1ccccc1OC(F)(F)F
InChIInChI=1S/C8H6ClF3O2/c9-7(13)5-3-1-2-4-6(5)14-8(10,11)12/h1-4,7,13H/t7-/m1/s1
InChIKeyJLCPJPZYRBDBLL-SSDOTTSWSA-N
XLogP2.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792609
(2-bromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 62791669
2-chloro-N,N-dimethyl-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 62225529
(4-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792623
5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
CID 115515453
(3-bromo-2-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792552
furan-2-yl-[2-(trifluoromethoxy)phenyl]methanol
CID 62791171
2-ethyl-1-[2-(trifluoromethoxy)phenyl]butane-1,2-diol
CID 103449289
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
(2-chloro-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63895624
cyclohexyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62790469

Frequently Asked Questions

What is the IUPAC name of (S)-chloro-[2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (S)-chloro-[2-(trifluoromethoxy)phenyl]methanol (CID 130359004) is (S)-chloro-[2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (S)-chloro-[2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (S)-chloro-[2-(trifluoromethoxy)phenyl]methanol is O[C@@H](Cl)c1ccccc1OC(F)(F)F.
What is the InChIKey of (S)-chloro-[2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is JLCPJPZYRBDBLL-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H6ClF3O2/c9-7(13)5-3-1-2-4-6(5)14-8(10,11)12/h1-4,7,13H/t7-/m1/s1.
What are the key properties of (S)-chloro-[2-(trifluoromethoxy)phenyl]methanol?
(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 226.58 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-chloro-[2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 130359004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).