2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol

C13H18F2O — CID 117328985

IUPAC2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(F)c1c(F)cccc1C(C)(C)CO
InChIInChI=1S/C13H18F2O/c1-12(2,8-16)9-6-5-7-10(14)11(9)13(3,4)15/h5-7,16H,8H2,1-4H3
InChIKeyDMOCOQXZSSBNHU-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.30
Rot. Bonds3

About 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol

2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol (PubChem CID 117328985) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
PubChem CID117328985
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(F)c1c(F)cccc1C(C)(C)CO
InChIInChI=1S/C13H18F2O/c1-12(2,8-16)9-6-5-7-10(14)11(9)13(3,4)15/h5-7,16H,8H2,1-4H3
InChIKeyDMOCOQXZSSBNHU-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-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 67918759
2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117344265
2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328986
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
3-fluoro-6-(1-hydroxy-2-methylpropan-2-yl)benzene-1,2-diol
CID 117289209
(2S)-2-amino-2-(2-amino-3-fluorophenyl)propan-1-ol
CID 130702904
2-amino-2-(2-fluoro-6-methylphenyl)propan-1-ol
CID 55294765
2-methyl-2-(2-methylsulfanyl-3-methylsulfonylphenyl)propan-1-ol
CID 117438762
2,2-difluoro-2-(3-fluoro-2-methoxyphenyl)ethanol
CID 105426357
2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117288137
2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 61049920
2-anilino-2-(2,6-difluorophenyl)propan-1-ol
CID 61046430

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol (CID 117328985) is 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol is CC(C)(F)c1c(F)cccc1C(C)(C)CO.
What is the InChIKey of 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol?
The InChIKey is DMOCOQXZSSBNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-12(2,8-16)9-6-5-7-10(14)11(9)13(3,4)15/h5-7,16H,8H2,1-4H3.
What are the key properties of 2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol?
2-[3-fluoro-2-(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-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117328985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).