(3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol

C8H10F2O2 — CID 70050158

IUPAC(3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol
SMILESCOC1(F)C=C(CO)C=C(F)C1
InChIInChI=1S/C8H10F2O2/c1-12-8(10)3-6(5-11)2-7(9)4-8/h2-3,11H,4-5H2,1H3
InChIKeyVBYZZDITVWCYDA-UHFFFAOYSA-N
MW176.16 g/mol
LogP1.47
Rot. Bonds2

About (3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol

(3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol (PubChem CID 70050158) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is (3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol
PubChem CID70050158
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name(3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol
SMILESCOC1(F)C=C(CO)C=C(F)C1
InChIInChI=1S/C8H10F2O2/c1-12-8(10)3-6(5-11)2-7(9)4-8/h2-3,11H,4-5H2,1H3
InChIKeyVBYZZDITVWCYDA-UHFFFAOYSA-N
XLogP1.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol?
The IUPAC name of (3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol (CID 70050158) is (3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol.
What is the SMILES notation for (3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol?
The canonical SMILES for (3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol is COC1(F)C=C(CO)C=C(F)C1.
What is the InChIKey of (3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol?
The InChIKey is VBYZZDITVWCYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2/c1-12-8(10)3-6(5-11)2-7(9)4-8/h2-3,11H,4-5H2,1H3.
What are the key properties of (3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol?
(3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol has a molecular weight of 176.16 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-3-methoxycyclohexa-1,5-dien-1-yl)methanol is sourced from PubChem (CID 70050158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).