4-fluoro-5,5-dimethylcyclohex-2-en-1-ol

C8H13FO — CID 141440587

IUPAC4-fluoro-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(O)C=CC1F
InChIInChI=1S/C8H13FO/c1-8(2)5-6(10)3-4-7(8)9/h3-4,6-7,10H,5H2,1-2H3
InChIKeyZETHXHDJVMJFJW-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.67
Rot. Bonds

About 4-fluoro-5,5-dimethylcyclohex-2-en-1-ol

4-fluoro-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 141440587) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 4-fluoro-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-fluoro-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID141440587
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name4-fluoro-5,5-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(O)C=CC1F
InChIInChI=1S/C8H13FO/c1-8(2)5-6(10)3-4-7(8)9/h3-4,6-7,10H,5H2,1-2H3
InChIKeyZETHXHDJVMJFJW-UHFFFAOYSA-N
XLogP1.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
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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Related Compounds

Isophorol
CID 79016
5-Methylidene-6-(prop-1-en-2-yl)cyclohex-2-en-1-ol
CID 32054
3,6,6-Trimethyl-cyclohex-2-enol
CID 558613
5,5-Dimethylcyclohex-2-en-1-ol
CID 12601004
(1S,4E)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol
CID 21631034
2-Cyclohexen-1-ol, 4,4-dimethyl-
CID 543508
2-Cyclohexen-1-ol, 4,4,6-trimethyl-
CID 558612
Isophorol, (-)-
CID 6999727
6-Methyl-cyclohex-2-en-1-ol
CID 550964
2-Cyclohexen-1-ol, 5-methyl-
CID 359231
2,6,6-Trimethyl-2-cyclohexen-1-ol
CID 536364
(1R,4Z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol
CID 162932892

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 4-fluoro-5,5-dimethylcyclohex-2-en-1-ol (CID 141440587) is 4-fluoro-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 4-fluoro-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 4-fluoro-5,5-dimethylcyclohex-2-en-1-ol is CC1(C)CC(O)C=CC1F.
What is the InChIKey of 4-fluoro-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is ZETHXHDJVMJFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-8(2)5-6(10)3-4-7(8)9/h3-4,6-7,10H,5H2,1-2H3.
What are the key properties of 4-fluoro-5,5-dimethylcyclohex-2-en-1-ol?
4-fluoro-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 144.19 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 141440587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).