2-methylpentan-2-yl 2,2-difluoroacetate

C8H14F2O2 — CID 89147922

IUPAC2-methylpentan-2-yl 2,2-difluoroacetate
SMILESCCCC(C)(C)OC(=O)C(F)F
InChIInChI=1S/C8H14F2O2/c1-4-5-8(2,3)12-7(11)6(9)10/h6H,4-5H2,1-3H3
InChIKeyIAGAYIILFDUULE-UHFFFAOYSA-N
MW180.19 g/mol
LogP2.37
Rot. Bonds4

About 2-methylpentan-2-yl 2,2-difluoroacetate

2-methylpentan-2-yl 2,2-difluoroacetate (PubChem CID 89147922) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 2-methylpentan-2-yl 2,2-difluoroacetate.

Molecular Properties

Compound Name2-methylpentan-2-yl 2,2-difluoroacetate
PubChem CID89147922
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name2-methylpentan-2-yl 2,2-difluoroacetate
SMILESCCCC(C)(C)OC(=O)C(F)F
InChIInChI=1S/C8H14F2O2/c1-4-5-8(2,3)12-7(11)6(9)10/h6H,4-5H2,1-3H3
InChIKeyIAGAYIILFDUULE-UHFFFAOYSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylbutan-2-yl trifluoroacetate
CID 12400830
2-Methylpentan-2-yl trifluoroacetate
CID 91721713
3-Methyl-3-pentanol, trifluoroacetate
CID 91754070
Triethylmethyl trifluoroacetate
CID 85569591
2,3-Dimethyl-3-pentanol, trifluoroacetate
CID 91692532
1,3-Dimethylbutyl trifluoroacetate
CID 91694716
2-Methylhexan-2-yl trifluoroacetate
CID 91721677
2,3-Dimethylbutan-2-yl trifluoroacetate
CID 91721712
(1,1,1-Trifluoro-4-methylpentan-2-yl) acetate
CID 17763801
(1,1,1,3,3,4,4,5,5,5-Decafluoro-2-methylpentan-2-yl) 3-methylbutanoate
CID 19761967
2-Methylbutan-2-yl 3,3,3-trifluoropropanoate
CID 20826469
Tert-butyl 2-(trifluoromethyl)butanoate
CID 23571831

Frequently Asked Questions

What is the IUPAC name of 2-methylpentan-2-yl 2,2-difluoroacetate?
The IUPAC name of 2-methylpentan-2-yl 2,2-difluoroacetate (CID 89147922) is 2-methylpentan-2-yl 2,2-difluoroacetate.
What is the SMILES notation for 2-methylpentan-2-yl 2,2-difluoroacetate?
The canonical SMILES for 2-methylpentan-2-yl 2,2-difluoroacetate is CCCC(C)(C)OC(=O)C(F)F.
What is the InChIKey of 2-methylpentan-2-yl 2,2-difluoroacetate?
The InChIKey is IAGAYIILFDUULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-4-5-8(2,3)12-7(11)6(9)10/h6H,4-5H2,1-3H3.
What are the key properties of 2-methylpentan-2-yl 2,2-difluoroacetate?
2-methylpentan-2-yl 2,2-difluoroacetate has a molecular weight of 180.19 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentan-2-yl 2,2-difluoroacetate is sourced from PubChem (CID 89147922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).