4-(1,1-difluoro-2-methoxyethyl)phenol

C9H10F2O2 — CID 83855813

IUPAC4-(1,1-difluoro-2-methoxyethyl)phenol
SMILESCOCC(F)(F)c1ccc(O)cc1
InChIInChI=1S/C9H10F2O2/c1-13-6-9(10,11)7-2-4-8(12)5-3-7/h2-5,12H,6H2,1H3
InChIKeyHSWYRRMISPEEOY-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.13
Rot. Bonds3

About 4-(1,1-difluoro-2-methoxyethyl)phenol

4-(1,1-difluoro-2-methoxyethyl)phenol (PubChem CID 83855813) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 4-(1,1-difluoro-2-methoxyethyl)phenol.

Molecular Properties

Compound Name4-(1,1-difluoro-2-methoxyethyl)phenol
PubChem CID83855813
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name4-(1,1-difluoro-2-methoxyethyl)phenol
SMILESCOCC(F)(F)c1ccc(O)cc1
InChIInChI=1S/C9H10F2O2/c1-13-6-9(10,11)7-2-4-8(12)5-3-7/h2-5,12H,6H2,1H3
InChIKeyHSWYRRMISPEEOY-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminooxy-1,1-difluoroethyl)phenol
CID 115017673
3,3-difluoro-3-(4-hydroxyphenyl)propanoic acid
CID 84670441
3,3-difluoro-3-(4-hydroxyphenyl)propanenitrile
CID 115016358
4-(trifluoromethyl)(18F)phenol
CID 71660610
4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
CID 11369659
ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol
CID 156647383
4-[2-(4-methoxyphenyl)butan-2-yl]phenol
CID 57308830
[2-(4-hydroxyphenyl)-2-methylpropyl] acetate
CID 139774569
2-(4-tert-butylphenyl)-1-methoxypropan-2-ol
CID 62550666
4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid
CID 84738454
4-tert-butylphenol;cobalt
CID 174380967
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoro-2-methoxyethyl)phenol?
The IUPAC name of 4-(1,1-difluoro-2-methoxyethyl)phenol (CID 83855813) is 4-(1,1-difluoro-2-methoxyethyl)phenol.
What is the SMILES notation for 4-(1,1-difluoro-2-methoxyethyl)phenol?
The canonical SMILES for 4-(1,1-difluoro-2-methoxyethyl)phenol is COCC(F)(F)c1ccc(O)cc1.
What is the InChIKey of 4-(1,1-difluoro-2-methoxyethyl)phenol?
The InChIKey is HSWYRRMISPEEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-13-6-9(10,11)7-2-4-8(12)5-3-7/h2-5,12H,6H2,1H3.
What are the key properties of 4-(1,1-difluoro-2-methoxyethyl)phenol?
4-(1,1-difluoro-2-methoxyethyl)phenol has a molecular weight of 188.17 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoro-2-methoxyethyl)phenol is sourced from PubChem (CID 83855813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).