2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol

C9H9F3O2 — CID 112575477

IUPAC2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)C(F)F)c1F
InChIInChI=1S/C9H9F3O2/c1-14-6-4-2-3-5(7(6)10)8(13)9(11)12/h2-4,8-9,13H,1H3
InChIKeyNKMJDECAYGOPOL-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.13
Rot. Bonds3

About 2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol

2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol (PubChem CID 112575477) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
PubChem CID112575477
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)C(F)F)c1F
InChIInChI=1S/C9H9F3O2/c1-14-6-4-2-3-5(7(6)10)8(13)9(11)12/h2-4,8-9,13H,1H3
InChIKeyNKMJDECAYGOPOL-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)propane-1,2,3-triol
CID 170819054
(1S,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55271368
1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 55273473
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
1-(2-fluoro-3-methoxyphenyl)pentane-1,2-diol
CID 103454923
1-(2-fluoro-3-methoxyphenyl)-2-methylpentan-1-ol
CID 82805526
1-(2-fluoro-3-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859159
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(1S,2R)-1-amino-1-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171268318
1-(2-fluoro-3-methoxyphenyl)-2-phenylbutan-1-ol
CID 115828571
2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
CID 115828563
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol?
The IUPAC name of 2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol (CID 112575477) is 2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol is COc1cccc(C(O)C(F)F)c1F.
What is the InChIKey of 2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol?
The InChIKey is NKMJDECAYGOPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-14-6-4-2-3-5(7(6)10)8(13)9(11)12/h2-4,8-9,13H,1H3.
What are the key properties of 2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol?
2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol has a molecular weight of 206.16 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 2,2-difluoro-1-(2-fluoro-3-methoxyphenyl)ethanol is sourced from PubChem (CID 112575477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).