2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol

C9H5F7O — CID 13358022

IUPAC2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol
SMILESOc1ccccc1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F7O/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6(5)17/h1-4,17H
InChIKeyJCXTYGQXOFKLHN-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.68
Rot. Bonds1

About 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol

2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol (PubChem CID 13358022) has the molecular formula C9H5F7O and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol.

Molecular Properties

Compound Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol
PubChem CID13358022
Molecular FormulaC9H5F7O
Molecular Weight262.12 g/mol
Exact Mass262.02
IUPAC Name2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol
SMILESOc1ccccc1C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H5F7O/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6(5)17/h1-4,17H
InChIKeyJCXTYGQXOFKLHN-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Thymol
CID 6989
O-Cresol
CID 335
2,4-Dimethylphenol
CID 7771
(1,1'-Biphenyl)-2-ol
CID 7017
4-Nonylphenol
CID 1752
Carvacrol
CID 10364
2-Ethylphenol
CID 6997
Propofol
CID 4943
bisphenol AF
CID 73864
2,3-Dimethylphenol
CID 10687
2,6-Dimethylphenol
CID 11335
Nonylphenol
CID 67296

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol?
The IUPAC name of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol (CID 13358022) is 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol.
What is the SMILES notation for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol?
The canonical SMILES for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol is Oc1ccccc1C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol?
The InChIKey is JCXTYGQXOFKLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F7O/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6(5)17/h1-4,17H.
What are the key properties of 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol?
2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol has a molecular weight of 262.12 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol is sourced from PubChem (CID 13358022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).