1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol

C9H13F3O2 — CID 165498433

IUPAC1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol
SMILESCOCC1(O)C=CC(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3O2/c1-14-6-8(13)4-2-7(3-5-8)9(10,11)12/h2,4,7,13H,3,5-6H2,1H3
InChIKeyMGUUDIXHFMSVNV-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.89
Rot. Bonds2

About 1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol

1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol (PubChem CID 165498433) has the molecular formula C9H13F3O2 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol
PubChem CID165498433
Molecular FormulaC9H13F3O2
Molecular Weight210.19 g/mol
Exact Mass210.09
IUPAC Name1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol
SMILESCOCC1(O)C=CC(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3O2/c1-14-6-8(13)4-2-7(3-5-8)9(10,11)12/h2,4,7,13H,3,5-6H2,1H3
InChIKeyMGUUDIXHFMSVNV-UHFFFAOYSA-N
XLogP1.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.89
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

6,6-Difluoro-5-methylcyclohex-3-ene-1,2-diol
CID 130146321
1-(Ethoxymethyl)cyclohex-2-en-1-ol
CID 10920758
(1S,2S,5R)-6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol
CID 101364299
(1S,2S,5S)-6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol
CID 101364301
(1R,2R,5R)-6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol
CID 102170360
(1R,2R,5S)-6,6-difluoro-5-methylcyclohex-3-ene-1,2-diol
CID 102170362
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
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-(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

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol (CID 165498433) is 1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol is COCC1(O)C=CC(C(F)(F)F)CC1.
What is the InChIKey of 1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol?
The InChIKey is MGUUDIXHFMSVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O2/c1-14-6-8(13)4-2-7(3-5-8)9(10,11)12/h2,4,7,13H,3,5-6H2,1H3.
What are the key properties of 1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol?
1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol has a molecular weight of 210.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-(trifluoromethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 165498433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).