4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol

C9H5F7O — CID 4241550

IUPAC4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol
SMILESOc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C9H5F7O/c10-7(8(11,12)13,9(14,15)16)5-1-3-6(17)4-2-5/h1-4,17H
InChIKeyHMCZBEORMIKDPZ-UHFFFAOYSA-N
MW262.12 g/mol
LogP3.68
Rot. Bonds1

About 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol

4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol (PubChem CID 4241550) has the molecular formula C9H5F7O and a molecular weight of 262.12 g/mol. Its IUPAC name is 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol.

Molecular Properties

Compound Name4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol
PubChem CID4241550
Molecular FormulaC9H5F7O
Molecular Weight262.12 g/mol
Exact Mass262.02
IUPAC Name4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol
SMILESOc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C9H5F7O/c10-7(8(11,12)13,9(14,15)16)5-1-3-6(17)4-2-5/h1-4,17H
InChIKeyHMCZBEORMIKDPZ-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

4-tert-Pentylphenol
CID 6643
P-Cresol
CID 2879
4-tert-Butylphenol
CID 7393
4-Nonylphenol
CID 1752
4-Tert-octylphenol
CID 8814
3,4-Dimethylphenol
CID 7249
Bis(4-hydroxyphenyl)methane
CID 12111
bisphenol AF
CID 73864
4-Cumylphenol
CID 11742
4-Ethylphenol
CID 31242
4-Isopropylphenol
CID 7465
4,4'-Dihydroxybiphenyl
CID 7112

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol?
The IUPAC name of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol (CID 4241550) is 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol.
What is the SMILES notation for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol?
The canonical SMILES for 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol is Oc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol?
The InChIKey is HMCZBEORMIKDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F7O/c10-7(8(11,12)13,9(14,15)16)5-1-3-6(17)4-2-5/h1-4,17H.
What are the key properties of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol?
4-(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 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenol is sourced from PubChem (CID 4241550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).