1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol

C10H16F2O — CID 105110484

IUPAC1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2O/c1-7(2)9(13)8-3-5-10(11,12)6-4-8/h8-9,13H,1,3-6H2,2H3
InChIKeyOIRMVGCGSAIVJJ-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.75
Rot. Bonds2

About 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol

1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol (PubChem CID 105110484) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol
PubChem CID105110484
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)C1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2O/c1-7(2)9(13)8-3-5-10(11,12)6-4-8/h8-9,13H,1,3-6H2,2H3
InChIKeyOIRMVGCGSAIVJJ-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.75
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 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol (CID 105110484) is 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol is C=C(C)C(O)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol?
The InChIKey is OIRMVGCGSAIVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-7(2)9(13)8-3-5-10(11,12)6-4-8/h8-9,13H,1,3-6H2,2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol?
1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol has a molecular weight of 190.23 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 105110484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).