(1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol

C8H10F2O2 — CID 174756538

IUPAC(1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1C=CC(F)=CC1(F)CO
InChIInChI=1S/C8H10F2O2/c1-12-7-3-2-6(9)4-8(7,10)5-11/h2-4,7,11H,5H2,1H3
InChIKeyUKLSIGKVDHCWKS-UHFFFAOYSA-N
MW176.16 g/mol
LogP1.13
Rot. Bonds2

About (1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol

(1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol (PubChem CID 174756538) has the molecular formula C8H10F2O2 and a molecular weight of 176.16 g/mol. Its IUPAC name is (1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol
PubChem CID174756538
Molecular FormulaC8H10F2O2
Molecular Weight176.16 g/mol
Exact Mass176.06
IUPAC Name(1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol
SMILESCOC1C=CC(F)=CC1(F)CO
InChIInChI=1S/C8H10F2O2/c1-12-7-3-2-6(9)4-8(7,10)5-11/h2-4,7,11H,5H2,1H3
InChIKeyUKLSIGKVDHCWKS-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol (CID 174756538) is (1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol is COC1C=CC(F)=CC1(F)CO.
What is the InChIKey of (1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is UKLSIGKVDHCWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O2/c1-12-7-3-2-6(9)4-8(7,10)5-11/h2-4,7,11H,5H2,1H3.
What are the key properties of (1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol?
(1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 176.16 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-difluoro-6-methoxycyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 174756538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).