2-(difluoromethyl)phenol

C7H6F2O — CID 21386914

IUPAC2-(difluoromethyl)phenol
SMILESOc1ccccc1C(F)F
InChIInChI=1S/C7H6F2O/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7,10H
InChIKeyXSLLINTVUSKCGX-UHFFFAOYSA-N
MW144.12 g/mol
LogP2.33
Rot. Bonds1

About 2-(difluoromethyl)phenol

2-(difluoromethyl)phenol (PubChem CID 21386914) has the molecular formula C7H6F2O and a molecular weight of 144.12 g/mol. Its IUPAC name is 2-(difluoromethyl)phenol.

Molecular Properties

Compound Name2-(difluoromethyl)phenol
PubChem CID21386914
Molecular FormulaC7H6F2O
Molecular Weight144.12 g/mol
Exact Mass144.04
IUPAC Name2-(difluoromethyl)phenol
SMILESOc1ccccc1C(F)F
InChIInChI=1S/C7H6F2O/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7,10H
InChIKeyXSLLINTVUSKCGX-UHFFFAOYSA-N
XLogP2.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.12
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-fluoroprop-2-enyl)phenol
CID 69237560
2-(1,1-difluoro-3-hydroxypropan-2-yl)phenol
CID 84770639
2-(difluoromethyl)-6-hydroxybenzaldehyde
CID 84654276
2-[(1S)-1-amino-2-methylpropyl]phenol
CID 14939349
2-(1-amino-2-fluoroethyl)phenol
CID 83815442
2-(1-fluoropropan-2-yl)phenol
CID 19048051
1-(difluoromethyl)-2-propan-2-ylbenzene
CID 58978051
[(1R,2S)-2-azaniumyl-1,2-bis(2-hydroxyphenyl)ethyl]azanium dichloride
CID 139065315
CID 89164197
CID 89164197
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol
CID 66510923
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol
CID 55277980

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)phenol?
The IUPAC name of 2-(difluoromethyl)phenol (CID 21386914) is 2-(difluoromethyl)phenol.
What is the SMILES notation for 2-(difluoromethyl)phenol?
The canonical SMILES for 2-(difluoromethyl)phenol is Oc1ccccc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)phenol?
The InChIKey is XSLLINTVUSKCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2O/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7,10H.
What are the key properties of 2-(difluoromethyl)phenol?
2-(difluoromethyl)phenol has a molecular weight of 144.12 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)phenol is sourced from PubChem (CID 21386914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).