4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol

C11H15F3O — CID 165492141

IUPAC4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol
SMILESC=C(C(F)(F)F)C1(O)C=CC(C)(C)CC1
InChIInChI=1S/C11H15F3O/c1-8(11(12,13)14)10(15)6-4-9(2,3)5-7-10/h4,6,15H,1,5,7H2,2-3H3
InChIKeyRLCDQZGYESTTNK-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.21
Rot. Bonds1

About 4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol

4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol (PubChem CID 165492141) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol
PubChem CID165492141
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol
SMILESC=C(C(F)(F)F)C1(O)C=CC(C)(C)CC1
InChIInChI=1S/C11H15F3O/c1-8(11(12,13)14)10(15)6-4-9(2,3)5-7-10/h4,6,15H,1,5,7H2,2-3H3
InChIKeyRLCDQZGYESTTNK-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.21
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 4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol?
The IUPAC name of 4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol (CID 165492141) is 4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol is C=C(C(F)(F)F)C1(O)C=CC(C)(C)CC1.
What is the InChIKey of 4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol?
The InChIKey is RLCDQZGYESTTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c1-8(11(12,13)14)10(15)6-4-9(2,3)5-7-10/h4,6,15H,1,5,7H2,2-3H3.
What are the key properties of 4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol?
4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol has a molecular weight of 220.23 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 165492141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).