methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate

C10H12F2O4 — CID 82003998

IUPACmethyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)OCC(F)F)o1
InChIInChI=1S/C10H12F2O4/c1-6(15-5-9(11)12)7-3-4-8(16-7)10(13)14-2/h3-4,6,9H,5H2,1-2H3
InChIKeyRMUSERQHVXXRSF-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.41
Rot. Bonds5

About methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate

methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate (PubChem CID 82003998) has the molecular formula C10H12F2O4 and a molecular weight of 234.20 g/mol. Its IUPAC name is methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate
PubChem CID82003998
Molecular FormulaC10H12F2O4
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Namemethyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)OCC(F)F)o1
InChIInChI=1S/C10H12F2O4/c1-6(15-5-9(11)12)7-3-4-8(16-7)10(13)14-2/h3-4,6,9H,5H2,1-2H3
InChIKeyRMUSERQHVXXRSF-UHFFFAOYSA-N
XLogP2.41
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[1-[2-(2-methylpropoxy)ethoxy]ethyl]furan-2-carboxylate
CID 106446592
methyl 5-[1-(cyclopentylmethoxy)ethyl]furan-2-carboxylate
CID 79083634
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[1-(3-ethylpentan-3-ylamino)ethyl]furan-2-carboxylate
CID 103253848
methyl 5-[1-(3-pyridin-4-ylpropoxy)ethyl]furan-2-carboxylate
CID 79086279
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
[(1S)-1-(5-methoxycarbonylfuran-2-yl)ethyl]-trimethylazanium
CID 919267
methyl 5-(1-hydroxy-4-methylpentyl)furan-2-carboxylate
CID 106947046
methyl 5-(1-propylsulfanylethyl)furan-2-carboxylate
CID 79083901
methyl 5-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]furan-2-carboxylate
CID 114169679
methyl 5-[1-(oxan-2-ylmethoxy)ethyl]furan-2-carboxylate
CID 79084595
methyl 5-(1-butylsulfanylethyl)furan-2-carboxylate
CID 112726651

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate (CID 82003998) is methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)OCC(F)F)o1.
What is the InChIKey of methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate?
The InChIKey is RMUSERQHVXXRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O4/c1-6(15-5-9(11)12)7-3-4-8(16-7)10(13)14-2/h3-4,6,9H,5H2,1-2H3.
What are the key properties of methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate?
methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate has a molecular weight of 234.20 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(2,2-difluoroethoxy)ethyl]furan-2-carboxylate is sourced from PubChem (CID 82003998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).