4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol

C10H16F2O2 — CID 165492021

IUPAC4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol
SMILESCC(C)OCC1(O)C=CC(F)(F)CC1
InChIInChI=1S/C10H16F2O2/c1-8(2)14-7-9(13)3-5-10(11,12)6-4-9/h3,5,8,13H,4,6-7H2,1-2H3
InChIKeyRDJJNICNQYSJLI-UHFFFAOYSA-N
MW206.23 g/mol
LogP2.13
Rot. Bonds3

About 4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol

4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol (PubChem CID 165492021) has the molecular formula C10H16F2O2 and a molecular weight of 206.23 g/mol. Its IUPAC name is 4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol
PubChem CID165492021
Molecular FormulaC10H16F2O2
Molecular Weight206.23 g/mol
Exact Mass206.11
IUPAC Name4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol
SMILESCC(C)OCC1(O)C=CC(F)(F)CC1
InChIInChI=1S/C10H16F2O2/c1-8(2)14-7-9(13)3-5-10(11,12)6-4-9/h3,5,8,13H,4,6-7H2,1-2H3
InChIKeyRDJJNICNQYSJLI-UHFFFAOYSA-N
XLogP2.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Ethoxymethyl)cyclohex-2-en-1-ol
CID 10920758
2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol
CID 102646747
2-(2,3-Dihydrofuran-5-yl)-6,6,6-trifluorohexan-2-ol
CID 102650816
2-(3,3,4-Trifluorooxetan-2-yl)pent-3-en-2-ol
CID 150663323
1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol
CID 165492023
1-(Ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol
CID 165492027
1-(4,5-Dihydrofuran-2-yl)-4,4-difluorocyclohex-2-en-1-ol
CID 165497641
1-(Methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol
CID 165498433
4,4-Difluoro-1-(methoxymethyl)cyclohex-2-en-1-ol
CID 165787675
1-(Methoxymethyl)cyclohex-2-en-1-ol
CID 13512570
1-(1-Ethoxyethenyl)cyclohex-2-en-1-ol
CID 53381841
1-(Propoxymethyl)cyclohex-2-en-1-ol
CID 116005175

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol?
The IUPAC name of 4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol (CID 165492021) is 4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol is CC(C)OCC1(O)C=CC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol?
The InChIKey is RDJJNICNQYSJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O2/c1-8(2)14-7-9(13)3-5-10(11,12)6-4-9/h3,5,8,13H,4,6-7H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol?
4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol has a molecular weight of 206.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(propan-2-yloxymethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 165492021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).