1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol

C12H16F2O — CID 117305547

IUPAC1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
SMILESCC(O)Cc1cc(C(C)(C)F)ccc1F
InChIInChI=1S/C12H16F2O/c1-8(15)6-9-7-10(12(2,3)14)4-5-11(9)13/h4-5,7-8,15H,6H2,1-3H3
InChIKeyGHZHBFYJSQYOLV-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.95
Rot. Bonds3

About 1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol

1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol (PubChem CID 117305547) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
PubChem CID117305547
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol
SMILESCC(O)Cc1cc(C(C)(C)F)ccc1F
InChIInChI=1S/C12H16F2O/c1-8(15)6-9-7-10(12(2,3)14)4-5-11(9)13/h4-5,7-8,15H,6H2,1-3H3
InChIKeyGHZHBFYJSQYOLV-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol
CID 117292369
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-ol
CID 117286468
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
1-[5-(2-fluoropropan-2-yl)-2-methylphenyl]propan-2-amine
CID 117299446
3-fluoro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117280370
1-(5-bromo-2-fluoro-4-methylphenyl)propan-2-ol
CID 117369420
2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328986
1-[2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]propan-2-ol
CID 117446796
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
CID 65151121
1-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]piperazine
CID 117389294
2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene
CID 84662941
1-(5-chloro-2-fluorophenyl)-4,5,5-trimethylhexan-2-ol
CID 103053392

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol?
The IUPAC name of 1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol (CID 117305547) is 1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol?
The canonical SMILES for 1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol is CC(O)Cc1cc(C(C)(C)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol?
The InChIKey is GHZHBFYJSQYOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-8(15)6-9-7-10(12(2,3)14)4-5-11(9)13/h4-5,7-8,15H,6H2,1-3H3.
What are the key properties of 1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol?
1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol has a molecular weight of 214.25 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]propan-2-ol is sourced from PubChem (CID 117305547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).