propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate

C10H18F2O2 — CID 118087278

IUPACpropan-2-yl 2-(difluoromethyl)-2-ethylbutanoate
SMILESCCC(CC)(C(=O)OC(C)C)C(F)F
InChIInChI=1S/C10H18F2O2/c1-5-10(6-2,8(11)12)9(13)14-7(3)4/h7-8H,5-6H2,1-4H3
InChIKeySLEVOGBNUAELDB-UHFFFAOYSA-N
MW208.25 g/mol
LogP3.01
Rot. Bonds5

About propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate

propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate (PubChem CID 118087278) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate.

Molecular Properties

Compound Namepropan-2-yl 2-(difluoromethyl)-2-ethylbutanoate
PubChem CID118087278
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Namepropan-2-yl 2-(difluoromethyl)-2-ethylbutanoate
SMILESCCC(CC)(C(=O)OC(C)C)C(F)F
InChIInChI=1S/C10H18F2O2/c1-5-10(6-2,8(11)12)9(13)14-7(3)4/h7-8H,5-6H2,1-4H3
InChIKeySLEVOGBNUAELDB-UHFFFAOYSA-N
XLogP3.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate?
The IUPAC name of propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate (CID 118087278) is propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate.
What is the SMILES notation for propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate?
The canonical SMILES for propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate is CCC(CC)(C(=O)OC(C)C)C(F)F.
What is the InChIKey of propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate?
The InChIKey is SLEVOGBNUAELDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-5-10(6-2,8(11)12)9(13)14-7(3)4/h7-8H,5-6H2,1-4H3.
What are the key properties of propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate?
propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate has a molecular weight of 208.25 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(difluoromethyl)-2-ethylbutanoate is sourced from PubChem (CID 118087278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).