bis(2-fluoroethyl) pentanedioate

C9H14F2O4 — CID 91723702

IUPACbis(2-fluoroethyl) pentanedioate
SMILESO=C(CCCC(=O)OCCF)OCCF
InChIInChI=1S/C9H14F2O4/c10-4-6-14-8(12)2-1-3-9(13)15-7-5-11/h1-7H2
InChIKeyVQBACQRZUFWLSX-UHFFFAOYSA-N
MW224.20 g/mol
LogP1.18
Rot. Bonds8

About bis(2-fluoroethyl) pentanedioate

bis(2-fluoroethyl) pentanedioate (PubChem CID 91723702) has the molecular formula C9H14F2O4 and a molecular weight of 224.20 g/mol. Its IUPAC name is bis(2-fluoroethyl) pentanedioate.

Molecular Properties

Compound Namebis(2-fluoroethyl) pentanedioate
PubChem CID91723702
Molecular FormulaC9H14F2O4
Molecular Weight224.20 g/mol
Exact Mass224.09
IUPAC Namebis(2-fluoroethyl) pentanedioate
SMILESO=C(CCCC(=O)OCCF)OCCF
InChIInChI=1S/C9H14F2O4/c10-4-6-14-8(12)2-1-3-9(13)15-7-5-11/h1-7H2
InChIKeyVQBACQRZUFWLSX-UHFFFAOYSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Diethyl glutarate
CID 13163
Diethyl hexafluoroglutarate
CID 9874
Dibutyl glutarate
CID 81101
Bis(2,2,3,3,4,4,5,5-octafluoropentyl) pentanedioate
CID 219174
Pentanedioic acid, ethyl methyl ester
CID 533712
Dipropyl glutarate
CID 74407
Dipentyl glutarate
CID 3016634
Monofluoro dimethyl glutarate
CID 10535304
Diethyl 2,2-difluoropentanedioate
CID 20455495
Bis(2,2,2-trifluoroethyl) glutarate
CID 86173207
Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl hexyl ester
CID 91709490
Glutaric acid, 2,2,3,3,4,4,4-heptafluorobutyl propyl ester
CID 91709507

Frequently Asked Questions

What is the IUPAC name of bis(2-fluoroethyl) pentanedioate?
The IUPAC name of bis(2-fluoroethyl) pentanedioate (CID 91723702) is bis(2-fluoroethyl) pentanedioate.
What is the SMILES notation for bis(2-fluoroethyl) pentanedioate?
The canonical SMILES for bis(2-fluoroethyl) pentanedioate is O=C(CCCC(=O)OCCF)OCCF.
What is the InChIKey of bis(2-fluoroethyl) pentanedioate?
The InChIKey is VQBACQRZUFWLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O4/c10-4-6-14-8(12)2-1-3-9(13)15-7-5-11/h1-7H2.
What are the key properties of bis(2-fluoroethyl) pentanedioate?
bis(2-fluoroethyl) pentanedioate has a molecular weight of 224.20 g/mol, XLogP of 1.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-fluoroethyl) pentanedioate is sourced from PubChem (CID 91723702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).