5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol

C10H12F2O2 — CID 117290732

IUPAC5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol
SMILESCC(CO)c1ccc(C(F)F)cc1O
InChIInChI=1S/C10H12F2O2/c1-6(5-13)8-3-2-7(10(11)12)4-9(8)14/h2-4,6,10,13-14H,5H2,1H3
InChIKeyFSCGVDYBOYWSCI-UHFFFAOYSA-N
MW202.20 g/mol
LogP2.43
Rot. Bonds3

About 5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol

5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol (PubChem CID 117290732) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol
PubChem CID117290732
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol
SMILESCC(CO)c1ccc(C(F)F)cc1O
InChIInChI=1S/C10H12F2O2/c1-6(5-13)8-3-2-7(10(11)12)4-9(8)14/h2-4,6,10,13-14H,5H2,1H3
InChIKeyFSCGVDYBOYWSCI-UHFFFAOYSA-N
XLogP2.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol?
The IUPAC name of 5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol (CID 117290732) is 5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol?
The canonical SMILES for 5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol is CC(CO)c1ccc(C(F)F)cc1O.
What is the InChIKey of 5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol?
The InChIKey is FSCGVDYBOYWSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c1-6(5-13)8-3-2-7(10(11)12)4-9(8)14/h2-4,6,10,13-14H,5H2,1H3.
What are the key properties of 5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol?
5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol has a molecular weight of 202.20 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-(1-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 117290732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).