3-(2,2-dichloro-1,1-difluoroethoxy)phenol

C8H6Cl2F2O2 — CID 154087912

IUPAC3-(2,2-dichloro-1,1-difluoroethoxy)phenol
SMILESOc1cccc(OC(F)(F)C(Cl)Cl)c1
InChIInChI=1S/C8H6Cl2F2O2/c9-7(10)8(11,12)14-6-3-1-2-5(13)4-6/h1-4,7,13H
InChIKeyIFSDZBRPHWSTNG-UHFFFAOYSA-N
MW243.04 g/mol
LogP3.17
Rot. Bonds3

About 3-(2,2-dichloro-1,1-difluoroethoxy)phenol

3-(2,2-dichloro-1,1-difluoroethoxy)phenol (PubChem CID 154087912) has the molecular formula C8H6Cl2F2O2 and a molecular weight of 243.04 g/mol. Its IUPAC name is 3-(2,2-dichloro-1,1-difluoroethoxy)phenol.

Molecular Properties

Compound Name3-(2,2-dichloro-1,1-difluoroethoxy)phenol
PubChem CID154087912
Molecular FormulaC8H6Cl2F2O2
Molecular Weight243.04 g/mol
Exact Mass241.97
IUPAC Name3-(2,2-dichloro-1,1-difluoroethoxy)phenol
SMILESOc1cccc(OC(F)(F)C(Cl)Cl)c1
InChIInChI=1S/C8H6Cl2F2O2/c9-7(10)8(11,12)14-6-3-1-2-5(13)4-6/h1-4,7,13H
InChIKeyIFSDZBRPHWSTNG-UHFFFAOYSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.04
LogP ≤ 53.17
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

ethane;3-(trifluoromethoxy)phenol
CID 143201974
chloro 2-[3-(2,2-dichloro-1,1-difluoroethoxy)phenoxy]acetate
CID 154287423
3-(1,1,1-trifluoropropan-2-yloxy)phenol
CID 117095393
[3-(2,2-dichloro-1,1-difluoroethoxy)phenyl] bromomethanesulfonate
CID 154159327
4-(2,2-dichloro-1,1-difluoroethoxy)-2-nitrophenol
CID 154400652
3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54570273
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
3-(2-phenylpropan-2-yloxy)phenol
CID 54130894
3-(2,4,4-trimethylpentan-2-yloxy)phenol
CID 70403468
4-[(2R)-2-chloro-1,1,2-trifluoroethoxy]phenol
CID 26596565
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
1-methoxy-3-(1,1,2,2-tetrafluoroethoxy)benzene
CID 22508169

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dichloro-1,1-difluoroethoxy)phenol?
The IUPAC name of 3-(2,2-dichloro-1,1-difluoroethoxy)phenol (CID 154087912) is 3-(2,2-dichloro-1,1-difluoroethoxy)phenol.
What is the SMILES notation for 3-(2,2-dichloro-1,1-difluoroethoxy)phenol?
The canonical SMILES for 3-(2,2-dichloro-1,1-difluoroethoxy)phenol is Oc1cccc(OC(F)(F)C(Cl)Cl)c1.
What is the InChIKey of 3-(2,2-dichloro-1,1-difluoroethoxy)phenol?
The InChIKey is IFSDZBRPHWSTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2O2/c9-7(10)8(11,12)14-6-3-1-2-5(13)4-6/h1-4,7,13H.
What are the key properties of 3-(2,2-dichloro-1,1-difluoroethoxy)phenol?
3-(2,2-dichloro-1,1-difluoroethoxy)phenol has a molecular weight of 243.04 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dichloro-1,1-difluoroethoxy)phenol is sourced from PubChem (CID 154087912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).