[(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol

C8H13FO — CID 91869842

IUPAC[(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol
SMILESC[C@]1(CO)C=CC(F)CC1
InChIInChI=1S/C8H13FO/c1-8(6-10)4-2-7(9)3-5-8/h2,4,7,10H,3,5-6H2,1H3/t7?,8-/m0/s1
InChIKeyRBGBFUJBXQUCKT-MQWKRIRWSA-N
MW144.19 g/mol
LogP1.67
Rot. Bonds1

About [(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol

[(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol (PubChem CID 91869842) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is [(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol
PubChem CID91869842
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name[(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol
SMILESC[C@]1(CO)C=CC(F)CC1
InChIInChI=1S/C8H13FO/c1-8(6-10)4-2-7(9)3-5-8/h2,4,7,10H,3,5-6H2,1H3/t7?,8-/m0/s1
InChIKeyRBGBFUJBXQUCKT-MQWKRIRWSA-N
XLogP1.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol?
The IUPAC name of [(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol (CID 91869842) is [(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol.
What is the SMILES notation for [(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol?
The canonical SMILES for [(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol is C[C@]1(CO)C=CC(F)CC1.
What is the InChIKey of [(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol?
The InChIKey is RBGBFUJBXQUCKT-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H13FO/c1-8(6-10)4-2-7(9)3-5-8/h2,4,7,10H,3,5-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of [(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol?
[(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol has a molecular weight of 144.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-fluoro-1-methylcyclohex-2-en-1-yl]methanol is sourced from PubChem (CID 91869842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).