[2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol

C8H10F2O — CID 89022383

IUPAC[2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol
SMILESOCC1=C(C(F)F)CCC=C1
InChIInChI=1S/C8H10F2O/c9-8(10)7-4-2-1-3-6(7)5-11/h1,3,8,11H,2,4-5H2
InChIKeyBWAVOOZQPHNHMP-UHFFFAOYSA-N
MW160.16 g/mol
LogP1.89
Rot. Bonds2

About [2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol

[2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 89022383) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is [2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol
PubChem CID89022383
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name[2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol
SMILESOCC1=C(C(F)F)CCC=C1
InChIInChI=1S/C8H10F2O/c9-8(10)7-4-2-1-3-6(7)5-11/h1,3,8,11H,2,4-5H2
InChIKeyBWAVOOZQPHNHMP-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol (CID 89022383) is [2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol is OCC1=C(C(F)F)CCC=C1.
What is the InChIKey of [2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is BWAVOOZQPHNHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O/c9-8(10)7-4-2-1-3-6(7)5-11/h1,3,8,11H,2,4-5H2.
What are the key properties of [2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol?
[2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 160.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 89022383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).