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

C11H12F4O — CID 117344265

IUPAC2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H12F4O/c1-10(2,6-16)7-4-3-5-8(9(7)12)11(13,14)15/h3-5,16H,6H2,1-2H3
InChIKeyOAMKYGUSDGAMQC-UHFFFAOYSA-N
MW236.21 g/mol
LogP3.11
Rot. Bonds2

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

2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol (PubChem CID 117344265) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is 2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
PubChem CID117344265
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C11H12F4O/c1-10(2,6-16)7-4-3-5-8(9(7)12)11(13,14)15/h3-5,16H,6H2,1-2H3
InChIKeyOAMKYGUSDGAMQC-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-fluoro-2-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328985
2-[2,3-bis(1-hydroxy-2-methylpropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 67918759
2-(2,3-difluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 117289363
[2-fluoro-3-(trifluoromethyl)anilino]methanol
CID 143384342
1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 121403127
4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol
CID 117339956
2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328986
[2,6-bis(trifluoromethyl)phenyl]methanol
CID 15346431
[4-[2-fluoro-3-(trifluoromethyl)phenyl]phenyl]methanol
CID 171382914
2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117288137
[2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane
CID 123175076
2-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117445820

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol (CID 117344265) is 2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol is CC(C)(CO)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of 2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is OAMKYGUSDGAMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O/c1-10(2,6-16)7-4-3-5-8(9(7)12)11(13,14)15/h3-5,16H,6H2,1-2H3.
What are the key properties of 2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol?
2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 236.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117344265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).