5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol

C8H10F2O — CID 147264618

IUPAC5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol
SMILESCC(F)(F)C1=CC(O)=CCC1
InChIInChI=1S/C8H10F2O/c1-8(9,10)6-3-2-4-7(11)5-6/h4-5,11H,2-3H2,1H3
InChIKeyCPFVHXHPZWYVNT-UHFFFAOYSA-N
MW160.16 g/mol
LogP2.80
Rot. Bonds1

About 5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol

5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol (PubChem CID 147264618) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol
PubChem CID147264618
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol
SMILESCC(F)(F)C1=CC(O)=CCC1
InChIInChI=1S/C8H10F2O/c1-8(9,10)6-3-2-4-7(11)5-6/h4-5,11H,2-3H2,1H3
InChIKeyCPFVHXHPZWYVNT-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol (CID 147264618) is 5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol is CC(F)(F)C1=CC(O)=CCC1.
What is the InChIKey of 5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol?
The InChIKey is CPFVHXHPZWYVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c1-8(9,10)6-3-2-4-7(11)5-6/h4-5,11H,2-3H2,1H3.
What are the key properties of 5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol?
5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol has a molecular weight of 160.16 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 147264618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).