1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol

C12H20F2O2 — CID 123825439

IUPAC1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)OC(=CF)CF)CC1
InChIInChI=1S/C12H20F2O2/c1-2-9-3-5-10(6-4-9)12(15)16-11(7-13)8-14/h7,9-10,12,15H,2-6,8H2,1H3
InChIKeyNNYUYVBISLOMPC-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.32
Rot. Bonds5

About 1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol

1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol (PubChem CID 123825439) has the molecular formula C12H20F2O2 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol
PubChem CID123825439
Molecular FormulaC12H20F2O2
Molecular Weight234.29 g/mol
Exact Mass234.14
IUPAC Name1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol
SMILESCCC1CCC(C(O)OC(=CF)CF)CC1
InChIInChI=1S/C12H20F2O2/c1-2-9-3-5-10(6-4-9)12(15)16-11(7-13)8-14/h7,9-10,12,15H,2-6,8H2,1H3
InChIKeyNNYUYVBISLOMPC-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol?
The IUPAC name of 1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol (CID 123825439) is 1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol.
What is the SMILES notation for 1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol?
The canonical SMILES for 1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol is CCC1CCC(C(O)OC(=CF)CF)CC1.
What is the InChIKey of 1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol?
The InChIKey is NNYUYVBISLOMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2O2/c1-2-9-3-5-10(6-4-9)12(15)16-11(7-13)8-14/h7,9-10,12,15H,2-6,8H2,1H3.
What are the key properties of 1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol?
1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol has a molecular weight of 234.29 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoroprop-1-en-2-yloxy-(4-ethylcyclohexyl)methanol is sourced from PubChem (CID 123825439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).