1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol

C11H12F4O — CID 66884547

IUPAC1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C11H12F4O/c1-6(2)10(16)8-4-3-7(5-9(8)12)11(13,14)15/h3-6,10,16H,1-2H3
InChIKeyHWGLZURBWNWRMF-UHFFFAOYSA-N
MW236.21 g/mol
LogP3.53
Rot. Bonds2

About 1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol

1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol (PubChem CID 66884547) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is 1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
PubChem CID66884547
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)C(O)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C11H12F4O/c1-6(2)10(16)8-4-3-7(5-9(8)12)11(13,14)15/h3-6,10,16H,1-2H3
InChIKeyHWGLZURBWNWRMF-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol (CID 66884547) is 1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol is CC(C)C(O)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is HWGLZURBWNWRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O/c1-6(2)10(16)8-4-3-7(5-9(8)12)11(13,14)15/h3-6,10,16H,1-2H3.
What are the key properties of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 236.21 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 66884547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).