(1,4-difluorocyclohexa-2,4-dien-1-yl)methanol

C7H8F2O — CID 69050621

IUPAC(1,4-difluorocyclohexa-2,4-dien-1-yl)methanol
SMILESOCC1(F)C=CC(F)=CC1
InChIInChI=1S/C7H8F2O/c8-6-1-3-7(9,5-10)4-2-6/h1-3,10H,4-5H2
InChIKeyKLVGILWBAWMMBM-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.50
Rot. Bonds1

About (1,4-difluorocyclohexa-2,4-dien-1-yl)methanol

(1,4-difluorocyclohexa-2,4-dien-1-yl)methanol (PubChem CID 69050621) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is (1,4-difluorocyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(1,4-difluorocyclohexa-2,4-dien-1-yl)methanol
PubChem CID69050621
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name(1,4-difluorocyclohexa-2,4-dien-1-yl)methanol
SMILESOCC1(F)C=CC(F)=CC1
InChIInChI=1S/C7H8F2O/c8-6-1-3-7(9,5-10)4-2-6/h1-3,10H,4-5H2
InChIKeyKLVGILWBAWMMBM-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,4-difluorocyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (1,4-difluorocyclohexa-2,4-dien-1-yl)methanol (CID 69050621) is (1,4-difluorocyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (1,4-difluorocyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (1,4-difluorocyclohexa-2,4-dien-1-yl)methanol is OCC1(F)C=CC(F)=CC1.
What is the InChIKey of (1,4-difluorocyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is KLVGILWBAWMMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2O/c8-6-1-3-7(9,5-10)4-2-6/h1-3,10H,4-5H2.
What are the key properties of (1,4-difluorocyclohexa-2,4-dien-1-yl)methanol?
(1,4-difluorocyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 146.14 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-difluorocyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 69050621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).