1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol

C9H8F6O — CID 172704020

IUPAC1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(C(F)(F)C(F)C(F)(F)F)C=CC=CC1
InChIInChI=1S/C9H8F6O/c10-6(9(13,14)15)8(11,12)7(16)4-2-1-3-5-7/h1-4,6,16H,5H2
InChIKeyDILYSYPYTNFKQG-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.77
Rot. Bonds2

About 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol

1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol (PubChem CID 172704020) has the molecular formula C9H8F6O and a molecular weight of 246.15 g/mol. Its IUPAC name is 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol
PubChem CID172704020
Molecular FormulaC9H8F6O
Molecular Weight246.15 g/mol
Exact Mass246.05
IUPAC Name1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol
SMILESOC1(C(F)(F)C(F)C(F)(F)F)C=CC=CC1
InChIInChI=1S/C9H8F6O/c10-6(9(13,14)15)8(11,12)7(16)4-2-1-3-5-7/h1-4,6,16H,5H2
InChIKeyDILYSYPYTNFKQG-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol (CID 172704020) is 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol is OC1(C(F)(F)C(F)C(F)(F)F)C=CC=CC1.
What is the InChIKey of 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is DILYSYPYTNFKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6O/c10-6(9(13,14)15)8(11,12)7(16)4-2-1-3-5-7/h1-4,6,16H,5H2.
What are the key properties of 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol?
1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 246.15 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3,3-hexafluoropropyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 172704020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).