(6-fluorocyclohexa-2,4-dien-1-yl)methanol

C7H9FO — CID 123160628

IUPAC(6-fluorocyclohexa-2,4-dien-1-yl)methanol
SMILESOCC1C=CC=CC1F
InChIInChI=1S/C7H9FO/c8-7-4-2-1-3-6(7)5-9/h1-4,6-7,9H,5H2
InChIKeyZVGFTDVQCUTZHP-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.06
Rot. Bonds1

About (6-fluorocyclohexa-2,4-dien-1-yl)methanol

(6-fluorocyclohexa-2,4-dien-1-yl)methanol (PubChem CID 123160628) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is (6-fluorocyclohexa-2,4-dien-1-yl)methanol.

Molecular Properties

Compound Name(6-fluorocyclohexa-2,4-dien-1-yl)methanol
PubChem CID123160628
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name(6-fluorocyclohexa-2,4-dien-1-yl)methanol
SMILESOCC1C=CC=CC1F
InChIInChI=1S/C7H9FO/c8-7-4-2-1-3-6(7)5-9/h1-4,6-7,9H,5H2
InChIKeyZVGFTDVQCUTZHP-UHFFFAOYSA-N
XLogP1.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6-fluorocyclohexa-2,4-dien-1-yl)methanol?
The IUPAC name of (6-fluorocyclohexa-2,4-dien-1-yl)methanol (CID 123160628) is (6-fluorocyclohexa-2,4-dien-1-yl)methanol.
What is the SMILES notation for (6-fluorocyclohexa-2,4-dien-1-yl)methanol?
The canonical SMILES for (6-fluorocyclohexa-2,4-dien-1-yl)methanol is OCC1C=CC=CC1F.
What is the InChIKey of (6-fluorocyclohexa-2,4-dien-1-yl)methanol?
The InChIKey is ZVGFTDVQCUTZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c8-7-4-2-1-3-6(7)5-9/h1-4,6-7,9H,5H2.
What are the key properties of (6-fluorocyclohexa-2,4-dien-1-yl)methanol?
(6-fluorocyclohexa-2,4-dien-1-yl)methanol has a molecular weight of 128.15 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluorocyclohexa-2,4-dien-1-yl)methanol is sourced from PubChem (CID 123160628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).