[cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate

C10H13F3O2 — CID 23204435

IUPAC[cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC(F)(F)C1CCCCC1
InChIInChI=1S/C10H13F3O2/c1-7(11)9(14)15-10(12,13)8-5-3-2-4-6-8/h8H,1-6H2
InChIKeyHBBKLFFXXJYEOF-UHFFFAOYSA-N
MW222.21 g/mol
LogP3.19
Rot. Bonds3

About [cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate

[cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate (PubChem CID 23204435) has the molecular formula C10H13F3O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is [cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate.

Molecular Properties

Compound Name[cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate
PubChem CID23204435
Molecular FormulaC10H13F3O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name[cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate
SMILESC=C(F)C(=O)OC(F)(F)C1CCCCC1
InChIInChI=1S/C10H13F3O2/c1-7(11)9(14)15-10(12,13)8-5-3-2-4-6-8/h8H,1-6H2
InChIKeyHBBKLFFXXJYEOF-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate?
The IUPAC name of [cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate (CID 23204435) is [cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate.
What is the SMILES notation for [cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate?
The canonical SMILES for [cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate is C=C(F)C(=O)OC(F)(F)C1CCCCC1.
What is the InChIKey of [cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate?
The InChIKey is HBBKLFFXXJYEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O2/c1-7(11)9(14)15-10(12,13)8-5-3-2-4-6-8/h8H,1-6H2.
What are the key properties of [cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate?
[cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate has a molecular weight of 222.21 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(difluoro)methyl] 2-fluoroprop-2-enoate is sourced from PubChem (CID 23204435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).