[2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol

C9H8F4O3 — CID 171823177

IUPAC[2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol
SMILESCOC(O)(O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C9H8F4O3/c1-16-9(14,15)6-3-2-5(4-7(6)10)8(11,12)13/h2-4,14-15H,1H3
InChIKeyGCONGHNGBVBYPU-UHFFFAOYSA-N
MW240.15 g/mol
LogP1.59
Rot. Bonds2

About [2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol

[2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol (PubChem CID 171823177) has the molecular formula C9H8F4O3 and a molecular weight of 240.15 g/mol. Its IUPAC name is [2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol.

Molecular Properties

Compound Name[2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol
PubChem CID171823177
Molecular FormulaC9H8F4O3
Molecular Weight240.15 g/mol
Exact Mass240.04
IUPAC Name[2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol
SMILESCOC(O)(O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C9H8F4O3/c1-16-9(14,15)6-3-2-5(4-7(6)10)8(11,12)13/h2-4,14-15H,1H3
InChIKeyGCONGHNGBVBYPU-UHFFFAOYSA-N
XLogP1.59
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropanenitrile
CID 134818936
2-[2-fluoro-4-(trifluoromethyl)phenyl]butane-2-thiol
CID 123422475
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(4-methylphenyl)ethanol
CID 107287051
1-(3-fluorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 107287061
3-amino-1,1,1-trifluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]propan-2-ol
CID 107290047
2-fluoro-1-[(E)-2-methoxyethenyl]-4-(trifluoromethyl)benzene
CID 167530937
4-chloro-2-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpentanoic acid
CID 145156762
5-amino-1-methoxy-2-[2-methyl-4-(trifluoromethyl)phenyl]pentan-2-ol
CID 103391542
2-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)benzene
CID 123582186
ethyl 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropanoate
CID 107289959
methyl 3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171864579
2-[[difluoro-[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-fluoroamino]benzoic acid
CID 87847509

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol?
The IUPAC name of [2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol (CID 171823177) is [2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol.
What is the SMILES notation for [2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol?
The canonical SMILES for [2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol is COC(O)(O)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of [2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol?
The InChIKey is GCONGHNGBVBYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O3/c1-16-9(14,15)6-3-2-5(4-7(6)10)8(11,12)13/h2-4,14-15H,1H3.
What are the key properties of [2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol?
[2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol has a molecular weight of 240.15 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(trifluoromethyl)phenyl]-methoxymethanediol is sourced from PubChem (CID 171823177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).