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

C13H18F2O — CID 117328986

IUPAC2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(F)c1ccc(F)c(C(C)(C)CO)c1
InChIInChI=1S/C13H18F2O/c1-12(2,8-16)10-7-9(13(3,4)15)5-6-11(10)14/h5-7,16H,8H2,1-4H3
InChIKeyRIBRQJWNLKRPCO-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.30
Rot. Bonds3

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

2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol (PubChem CID 117328986) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
PubChem CID117328986
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(F)c1ccc(F)c(C(C)(C)CO)c1
InChIInChI=1S/C13H18F2O/c1-12(2,8-16)10-7-9(13(3,4)15)5-6-11(10)14/h5-7,16H,8H2,1-4H3
InChIKeyRIBRQJWNLKRPCO-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117363935
3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol
CID 117289209
4-tert-butyl-2-(1,1-difluoroethyl)-1-fluorobenzene
CID 147910906
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
CID 83686232
2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328985
2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene
CID 84662941
2-(5-tert-butyl-2-fluorophenyl)propan-2-ol
CID 155202615
2-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117409979
2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117344265
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol (CID 117328986) is 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol is CC(C)(F)c1ccc(F)c(C(C)(C)CO)c1.
What is the InChIKey of 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol?
The InChIKey is RIBRQJWNLKRPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-12(2,8-16)10-7-9(13(3,4)15)5-6-11(10)14/h5-7,16H,8H2,1-4H3.
What are the key properties of 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol?
2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol has a molecular weight of 228.28 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117328986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).