2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol

C9H10F2O2 — CID 84770639

IUPAC2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol
SMILESOCC(c1ccccc1O)C(F)F
InChIInChI=1S/C9H10F2O2/c10-9(11)7(5-12)6-3-1-2-4-8(6)13/h1-4,7,9,12-13H,5H2
InChIKeyNGDUMCHPJWKFOY-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.73
Rot. Bonds3

About 2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol

2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol (PubChem CID 84770639) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol
PubChem CID84770639
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol
SMILESOCC(c1ccccc1O)C(F)F
InChIInChI=1S/C9H10F2O2/c10-9(11)7(5-12)6-3-1-2-4-8(6)13/h1-4,7,9,12-13H,5H2
InChIKeyNGDUMCHPJWKFOY-UHFFFAOYSA-N
XLogP1.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(1-fluoropropan-2-yl)phenol
CID 19048051
2-amino-2-[2-(1-fluoroethyl)phenyl]ethanol
CID 84659121
2-(1-fluoroprop-2-enyl)phenol
CID 69237560
2-[1-[[(2R)-1-hydroxypropan-2-yl]amino]propyl]phenol
CID 114983222
2-[[(1R)-1-(2-hydroxyphenyl)ethyl]amino]propane-1,3-diol
CID 96979742
2-(2-fluoro-3-hydroxypropyl)phenol
CID 105434416
2-[2-chloro-1-(2-hydroxyphenyl)ethyl]phenol
CID 21256259
2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
CID 117289377
2-(1-cyclobutyl-2-hydroxyethyl)phenol
CID 115019132

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol?
The IUPAC name of 2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol (CID 84770639) is 2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol?
The canonical SMILES for 2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol is OCC(c1ccccc1O)C(F)F.
What is the InChIKey of 2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol?
The InChIKey is NGDUMCHPJWKFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c10-9(11)7(5-12)6-3-1-2-4-8(6)13/h1-4,7,9,12-13H,5H2.
What are the key properties of 2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol?
2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol has a molecular weight of 188.17 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 84770639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).