2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol

C13H14F6O2 — CID 135122021

IUPAC2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
SMILESCCCCc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1O
InChIInChI=1S/C13H14F6O2/c1-2-3-5-8-6-4-7-9(10(8)20)11(21,12(14,15)16)13(17,18)19/h4,6-7,20-21H,2-3,5H2,1H3
InChIKeyNMPOMFSVBQEERS-UHFFFAOYSA-N
MW316.24 g/mol
LogP4.05
Rot. Bonds4

About 2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol

2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol (PubChem CID 135122021) has the molecular formula C13H14F6O2 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
PubChem CID135122021
Molecular FormulaC13H14F6O2
Molecular Weight316.24 g/mol
Exact Mass316.09
IUPAC Name2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol
SMILESCCCCc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1O
InChIInChI=1S/C13H14F6O2/c1-2-3-5-8-6-4-7-9(10(8)20)11(21,12(14,15)16)13(17,18)19/h4,6-7,20-21H,2-3,5H2,1H3
InChIKeyNMPOMFSVBQEERS-UHFFFAOYSA-N
XLogP4.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-Dimethylphenol
CID 7771
2-Ethylphenol
CID 6997
Propofol
CID 4943
2,6-Dimethylphenol
CID 11335
Nonylphenol
CID 67296
2-Isopropylphenol
CID 6943
2,4,6-Trimethylphenol
CID 10698
2-tert-Butyl-4-methylphenol
CID 17004
2-Propylphenol
CID 12570
2-Tert-Butylphenol
CID 6923
2,6-Di-tert-butylphenol
CID 31405
2-sec-Butylphenol
CID 6984

Frequently Asked Questions

What is the IUPAC name of 2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol?
The IUPAC name of 2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol (CID 135122021) is 2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol is CCCCc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1O.
What is the InChIKey of 2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol?
The InChIKey is NMPOMFSVBQEERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6O2/c1-2-3-5-8-6-4-7-9(10(8)20)11(21,12(14,15)16)13(17,18)19/h4,6-7,20-21H,2-3,5H2,1H3.
What are the key properties of 2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol?
2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol has a molecular weight of 316.24 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 135122021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).