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2-(2,4-Difluorophenyl)propan-2-ol

CAT: 0572-TRC-D445725-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D445725-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
51788-81-9
Synonyms
2,4-Difluoro-alpha,alpha-dimethyl-benzenemethanol;
Hazard Statement
Combustible liquid and vapour.
Smiles
CC(C)(O)c1ccc(F)cc1F
Molecular Formula
C9H10F2O
Molecular Weight
172.17
Shipping Conditions
Room Temperature

Chemical Information

2-(2,4-Difluorophenyl)propan-2-ol
CAS Number51788-81-9
PubChem CID10654761
IUPAC Name2-(2,4-difluorophenyl)propan-2-ol
Molecular FormulaC9H10F2O
Molecular Weight172.17
XLogP1.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity159
SMILES
CC(C)(C1=C(C=C(C=C1)F)F)O
InChI
InChI=1S/C9H10F2O/c1-9(2,12)7-4-3-6(10)5-8(7)11/h3-5,12H,1-2H3
InChIKey
SLTYBPUHHHXDGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2,4-Difluorophenyl)propan-2-ol
CAS: 51788-81-9
CID: 10654761
Formula: C9H10F2O
MW: 172.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.17
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass172.06997126
Monoisotopic Mass172.06997126
Topological Polar Surface Area20.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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