ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate

C18H22F2O4 — CID 67802665

IUPACethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(OC2CCCCO2)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H22F2O4/c1-2-22-17(21)18(8-9-18)16(24-15-5-3-4-10-23-15)13-7-6-12(19)11-14(13)20/h6-7,11,15-16H,2-5,8-10H2,1H3
InChIKeyXFHJBFDDBMFKBE-UHFFFAOYSA-N
MW340.37 g/mol
LogP3.89
Rot. Bonds6

About ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate

ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate (PubChem CID 67802665) has the molecular formula C18H22F2O4 and a molecular weight of 340.37 g/mol. Its IUPAC name is ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate
PubChem CID67802665
Molecular FormulaC18H22F2O4
Molecular Weight340.37 g/mol
Exact Mass340.15
IUPAC Nameethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(C(OC2CCCCO2)c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H22F2O4/c1-2-22-17(21)18(8-9-18)16(24-15-5-3-4-10-23-15)13-7-6-12(19)11-14(13)20/h6-7,11,15-16H,2-5,8-10H2,1H3
InChIKeyXFHJBFDDBMFKBE-UHFFFAOYSA-N
XLogP3.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate (CID 67802665) is ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate is CCOC(=O)C1(C(OC2CCCCO2)c2ccc(F)cc2F)CC1.
What is the InChIKey of ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate?
The InChIKey is XFHJBFDDBMFKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2O4/c1-2-22-17(21)18(8-9-18)16(24-15-5-3-4-10-23-15)13-7-6-12(19)11-14(13)20/h6-7,11,15-16H,2-5,8-10H2,1H3.
What are the key properties of ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate?
ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate has a molecular weight of 340.37 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,4-difluorophenyl)-(oxan-2-yloxy)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 67802665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).