2-(1,1-difluoroethyl)-3-methoxyphenol

C9H10F2O2 — CID 84661311

IUPAC2-(1,1-difluoroethyl)-3-methoxyphenol
SMILESCOc1cccc(O)c1C(C)(F)F
InChIInChI=1S/C9H10F2O2/c1-9(10,11)8-6(12)4-3-5-7(8)13-2/h3-5,12H,1-2H3
InChIKeyFTWBIQAXCKYXMY-UHFFFAOYSA-N
MW188.17 g/mol
LogP2.51
Rot. Bonds2

About 2-(1,1-difluoroethyl)-3-methoxyphenol

2-(1,1-difluoroethyl)-3-methoxyphenol (PubChem CID 84661311) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-3-methoxyphenol.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-3-methoxyphenol
PubChem CID84661311
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name2-(1,1-difluoroethyl)-3-methoxyphenol
SMILESCOc1cccc(O)c1C(C)(F)F
InChIInChI=1S/C9H10F2O2/c1-9(10,11)8-6(12)4-3-5-7(8)13-2/h3-5,12H,1-2H3
InChIKeyFTWBIQAXCKYXMY-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330
4-methoxy-2,3-bis(trifluoromethyl)phenol
CID 22595244
2-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]ethanone
CID 84692542
3-amino-1-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-one
CID 117359478
O-[[2-(1,1-difluoroethyl)-3-methoxyphenyl]methyl]hydroxylamine
CID 117308978
1,1,1-trifluoro-2-(2-methoxy-6-methylphenyl)propan-2-ol
CID 83950086
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-amine
CID 117330427
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-N-methylethanamine
CID 117330502
2-(2-hydroxypropan-2-yl)-3-methoxyphenol;methane;3-methoxy-2-propan-2-ylphenol
CID 159086298
1,3-dimethoxy-2-(trichloromethyl)benzene
CID 174688195
2-tert-butyl-3-(1,1,2,2-tetrafluoroethoxy)phenol
CID 174254528
[2-[bis(2,6-dimethoxyphenyl)-phosphanylmethyl]-1,1,3,3-tetrakis(2,6-dimethoxyphenyl)-2-methyl-3-phosphanylpropyl]phosphane
CID 19417903

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-3-methoxyphenol?
The IUPAC name of 2-(1,1-difluoroethyl)-3-methoxyphenol (CID 84661311) is 2-(1,1-difluoroethyl)-3-methoxyphenol.
What is the SMILES notation for 2-(1,1-difluoroethyl)-3-methoxyphenol?
The canonical SMILES for 2-(1,1-difluoroethyl)-3-methoxyphenol is COc1cccc(O)c1C(C)(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-3-methoxyphenol?
The InChIKey is FTWBIQAXCKYXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-9(10,11)8-6(12)4-3-5-7(8)13-2/h3-5,12H,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-3-methoxyphenol?
2-(1,1-difluoroethyl)-3-methoxyphenol has a molecular weight of 188.17 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-3-methoxyphenol is sourced from PubChem (CID 84661311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).