1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol

C9H14F2O2 — CID 165492027

IUPAC1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol
SMILESCCOCC1(O)C=CC(F)(F)CC1
InChIInChI=1S/C9H14F2O2/c1-2-13-7-8(12)3-5-9(10,11)6-4-8/h3,5,12H,2,4,6-7H2,1H3
InChIKeyKBEIQKOYAJEOML-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.74
Rot. Bonds3

About 1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol

1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol (PubChem CID 165492027) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol
PubChem CID165492027
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol
SMILESCCOCC1(O)C=CC(F)(F)CC1
InChIInChI=1S/C9H14F2O2/c1-2-13-7-8(12)3-5-9(10,11)6-4-8/h3,5,12H,2,4,6-7H2,1H3
InChIKeyKBEIQKOYAJEOML-UHFFFAOYSA-N
XLogP1.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.74
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
2-[2-(Trifluoromethyl)oxetan-2-yl]pent-3-en-2-ol
CID 152168125
1-(4,5-Dihydrofuran-2-yl)-4,4-difluorocyclohexan-1-ol
CID 164651151
4,4-Difluoro-1-[(propan-2-yloxy)methyl]cyclohex-2-en-1-ol
CID 165492021
1-(3,4-dihydro-2H-pyran-6-yl)-4,4-difluorocyclohex-2-en-1-ol
CID 165492023
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

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol?
The IUPAC name of 1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol (CID 165492027) is 1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol.
What is the SMILES notation for 1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol?
The canonical SMILES for 1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol is CCOCC1(O)C=CC(F)(F)CC1.
What is the InChIKey of 1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol?
The InChIKey is KBEIQKOYAJEOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-2-13-7-8(12)3-5-9(10,11)6-4-8/h3,5,12H,2,4,6-7H2,1H3.
What are the key properties of 1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol?
1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol has a molecular weight of 192.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4,4-difluorocyclohex-2-en-1-ol is sourced from PubChem (CID 165492027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).