[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol

C10H7F7O — CID 125424508

IUPAC[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol
SMILESOCc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F7O/c11-8(9(12,13)14,10(15,16)17)7-3-1-6(5-18)2-4-7/h1-4,18H,5H2
InChIKeyGKVZAWSAJJIQMI-UHFFFAOYSA-N
MW276.15 g/mol
LogP3.47
Rot. Bonds2

About [4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol

[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol (PubChem CID 125424508) has the molecular formula C10H7F7O and a molecular weight of 276.15 g/mol. Its IUPAC name is [4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol
PubChem CID125424508
Molecular FormulaC10H7F7O
Molecular Weight276.15 g/mol
Exact Mass276.04
IUPAC Name[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol
SMILESOCc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F7O/c11-8(9(12,13)14,10(15,16)17)7-3-1-6(5-18)2-4-7/h1-4,18H,5H2
InChIKeyGKVZAWSAJJIQMI-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol?
The IUPAC name of [4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol (CID 125424508) is [4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol.
What is the SMILES notation for [4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol?
The canonical SMILES for [4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol is OCc1ccc(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)phenyl]methanol?
The InChIKey is GKVZAWSAJJIQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F7O/c11-8(9(12,13)14,10(15,16)17)7-3-1-6(5-18)2-4-7/h1-4,18H,5H2.
What are the key properties of [4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol?
[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]methanol has a molecular weight of 276.15 g/mol, XLogP of 3.47, 2 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)phenyl]methanol is sourced from PubChem (CID 125424508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).