[(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol

C7H9FO — CID 89416446

IUPAC[(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol
SMILESOC[C@H]1C=C(F)C=CC1
InChIInChI=1S/C7H9FO/c8-7-3-1-2-6(4-7)5-9/h1,3-4,6,9H,2,5H2/t6-/m1/s1
InChIKeyKVQSKRBMBDSRCB-ZCFIWIBFSA-N
MW128.15 g/mol
LogP1.41
Rot. Bonds1

About [(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol

[(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol (PubChem CID 89416446) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is [(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol
PubChem CID89416446
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name[(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol
SMILESOC[C@H]1C=C(F)C=CC1
InChIInChI=1S/C7H9FO/c8-7-3-1-2-6(4-7)5-9/h1,3-4,6,9H,2,5H2/t6-/m1/s1
InChIKeyKVQSKRBMBDSRCB-ZCFIWIBFSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol (CID 89416446) is [(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol is OC[C@H]1C=C(F)C=CC1.
What is the InChIKey of [(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is KVQSKRBMBDSRCB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9FO/c8-7-3-1-2-6(4-7)5-9/h1,3-4,6,9H,2,5H2/t6-/m1/s1.
What are the key properties of [(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol?
[(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 128.15 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-3-fluorocyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 89416446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).