ethyl 4-ethyl-2,2-difluorooctanoate

C12H22F2O2 — CID 11085779

IUPACethyl 4-ethyl-2,2-difluorooctanoate
SMILESCCCCC(CC)CC(F)(F)C(=O)OCC
InChIInChI=1S/C12H22F2O2/c1-4-7-8-10(5-2)9-12(13,14)11(15)16-6-3/h10H,4-9H2,1-3H3
InChIKeyFNVQFCRFZFJBEZ-UHFFFAOYSA-N
MW236.30 g/mol
LogP3.79
Rot. Bonds8

About ethyl 4-ethyl-2,2-difluorooctanoate

ethyl 4-ethyl-2,2-difluorooctanoate (PubChem CID 11085779) has the molecular formula C12H22F2O2 and a molecular weight of 236.30 g/mol. Its IUPAC name is ethyl 4-ethyl-2,2-difluorooctanoate.

Molecular Properties

Compound Nameethyl 4-ethyl-2,2-difluorooctanoate
PubChem CID11085779
Molecular FormulaC12H22F2O2
Molecular Weight236.30 g/mol
Exact Mass236.16
IUPAC Nameethyl 4-ethyl-2,2-difluorooctanoate
SMILESCCCCC(CC)CC(F)(F)C(=O)OCC
InChIInChI=1S/C12H22F2O2/c1-4-7-8-10(5-2)9-12(13,14)11(15)16-6-3/h10H,4-9H2,1-3H3
InChIKeyFNVQFCRFZFJBEZ-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl cyclohexanoate
CID 18686
3-Methylbutyl octanoate
CID 16255
Isoamyl decanoate
CID 75320
Bis(2-ethylhexyl) azelate
CID 7642
Ethyl cyclohexane propionate
CID 61466
Ethyl cyclohexylacetate
CID 21595
2-Methylbutyl octanoate
CID 530406
2-Methylbutyl decanoate
CID 3017826
Di-2-ethylhexyl sebacate
CID 31218
Cetearyl Ethylhexanoate
CID 42956
2-Ethylhexyl stearate
CID 13132266
Isoamyl nonanoate
CID 522676

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-2,2-difluorooctanoate?
The IUPAC name of ethyl 4-ethyl-2,2-difluorooctanoate (CID 11085779) is ethyl 4-ethyl-2,2-difluorooctanoate.
What is the SMILES notation for ethyl 4-ethyl-2,2-difluorooctanoate?
The canonical SMILES for ethyl 4-ethyl-2,2-difluorooctanoate is CCCCC(CC)CC(F)(F)C(=O)OCC.
What is the InChIKey of ethyl 4-ethyl-2,2-difluorooctanoate?
The InChIKey is FNVQFCRFZFJBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O2/c1-4-7-8-10(5-2)9-12(13,14)11(15)16-6-3/h10H,4-9H2,1-3H3.
What are the key properties of ethyl 4-ethyl-2,2-difluorooctanoate?
ethyl 4-ethyl-2,2-difluorooctanoate has a molecular weight of 236.30 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-2,2-difluorooctanoate is sourced from PubChem (CID 11085779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).