difluoro-(3-fluorophenoxy)methanol

C7H5F3O2 — CID 143474773

IUPACdifluoro-(3-fluorophenoxy)methanol
SMILESOC(F)(F)Oc1cccc(F)c1
InChIInChI=1S/C7H5F3O2/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4,11H
InChIKeyFMCICMHSXWGGFB-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.75
Rot. Bonds2

About difluoro-(3-fluorophenoxy)methanol

difluoro-(3-fluorophenoxy)methanol (PubChem CID 143474773) has the molecular formula C7H5F3O2 and a molecular weight of 178.11 g/mol. Its IUPAC name is difluoro-(3-fluorophenoxy)methanol.

Molecular Properties

Compound Namedifluoro-(3-fluorophenoxy)methanol
PubChem CID143474773
Molecular FormulaC7H5F3O2
Molecular Weight178.11 g/mol
Exact Mass178.02
IUPAC Namedifluoro-(3-fluorophenoxy)methanol
SMILESOC(F)(F)Oc1cccc(F)c1
InChIInChI=1S/C7H5F3O2/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4,11H
InChIKeyFMCICMHSXWGGFB-UHFFFAOYSA-N
XLogP1.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-2-(3-fluorophenoxy)acetate
CID 162451015
1-[difluoro(phenyl)methoxy]-3-fluorobenzene
CID 142370420
2-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 82075160
bicyclo[2.2.0]hexa-1(4),2,5-triene;3-(3-fluorophenoxy)-3-hydroxybutanoic acid
CID 22751507
2-(3-fluorophenoxy)-2-methylpropan-1-amine
CID 28917625
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
ethyl 2-(3-fluorophenoxy)-2-methylpropanoate
CID 58243746
1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene
CID 167170800
2,2-difluoro-2-(3-fluorophenoxy)-1-morpholin-4-ylethanone
CID 118048826
3-(3-fluorophenoxy)-3-methylbutanenitrile
CID 82075815
5-fluoro-2-[3-(trifluoromethoxy)phenyl]phenol
CID 79018315
(3-fluorophenyl) diphenyl phosphate
CID 154131589

Frequently Asked Questions

What is the IUPAC name of difluoro-(3-fluorophenoxy)methanol?
The IUPAC name of difluoro-(3-fluorophenoxy)methanol (CID 143474773) is difluoro-(3-fluorophenoxy)methanol.
What is the SMILES notation for difluoro-(3-fluorophenoxy)methanol?
The canonical SMILES for difluoro-(3-fluorophenoxy)methanol is OC(F)(F)Oc1cccc(F)c1.
What is the InChIKey of difluoro-(3-fluorophenoxy)methanol?
The InChIKey is FMCICMHSXWGGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4,11H.
What are the key properties of difluoro-(3-fluorophenoxy)methanol?
difluoro-(3-fluorophenoxy)methanol has a molecular weight of 178.11 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(3-fluorophenoxy)methanol is sourced from PubChem (CID 143474773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).