ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate

C10H14F2O2 — CID 86690098

IUPACethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(=C(F)F)CC1
InChIInChI=1S/C10H14F2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h8H,2-6H2,1H3
InChIKeyDVCXFZOYRCFKGQ-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.89
Rot. Bonds2

About ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate

ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate (PubChem CID 86690098) has the molecular formula C10H14F2O2 and a molecular weight of 204.22 g/mol. Its IUPAC name is ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate
PubChem CID86690098
Molecular FormulaC10H14F2O2
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Nameethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(=C(F)F)CC1
InChIInChI=1S/C10H14F2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h8H,2-6H2,1H3
InChIKeyDVCXFZOYRCFKGQ-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate (CID 86690098) is ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(=C(F)F)CC1.
What is the InChIKey of ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate?
The InChIKey is DVCXFZOYRCFKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h8H,2-6H2,1H3.
What are the key properties of ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate?
ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate has a molecular weight of 204.22 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(difluoromethylidene)cyclohexane-1-carboxylate is sourced from PubChem (CID 86690098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).