1-fluoro-3-methylcyclohexa-2,4-dien-1-ol

C7H9FO — CID 68972362

IUPAC1-fluoro-3-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(O)(F)CC=C1
InChIInChI=1S/C7H9FO/c1-6-3-2-4-7(8,9)5-6/h2-3,5,9H,4H2,1H3
InChIKeyMXHCVXRDRZTHOR-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.55
Rot. Bonds

About 1-fluoro-3-methylcyclohexa-2,4-dien-1-ol

1-fluoro-3-methylcyclohexa-2,4-dien-1-ol (PubChem CID 68972362) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is 1-fluoro-3-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-fluoro-3-methylcyclohexa-2,4-dien-1-ol
PubChem CID68972362
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name1-fluoro-3-methylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(O)(F)CC=C1
InChIInChI=1S/C7H9FO/c1-6-3-2-4-7(8,9)5-6/h2-3,5,9H,4H2,1H3
InChIKeyMXHCVXRDRZTHOR-UHFFFAOYSA-N
XLogP1.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-fluoro-3-methylcyclohexa-2,4-dien-1-ol (CID 68972362) is 1-fluoro-3-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-fluoro-3-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-fluoro-3-methylcyclohexa-2,4-dien-1-ol is CC1=CC(O)(F)CC=C1.
What is the InChIKey of 1-fluoro-3-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is MXHCVXRDRZTHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FO/c1-6-3-2-4-7(8,9)5-6/h2-3,5,9H,4H2,1H3.
What are the key properties of 1-fluoro-3-methylcyclohexa-2,4-dien-1-ol?
1-fluoro-3-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 128.15 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 68972362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).