propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate

C11H17F3O2 — CID 118087190

IUPACpropan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate
SMILESCCC1(F)CC(C(=O)OC(C)C)(C(F)F)C1
InChIInChI=1S/C11H17F3O2/c1-4-10(14)5-11(6-10,8(12)13)9(15)16-7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyUSBYIODDLULMMZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.10
Rot. Bonds4

About propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate

propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate (PubChem CID 118087190) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate
PubChem CID118087190
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Namepropan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate
SMILESCCC1(F)CC(C(=O)OC(C)C)(C(F)F)C1
InChIInChI=1S/C11H17F3O2/c1-4-10(14)5-11(6-10,8(12)13)9(15)16-7(2)3/h7-8H,4-6H2,1-3H3
InChIKeyUSBYIODDLULMMZ-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate?
The IUPAC name of propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate (CID 118087190) is propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate.
What is the SMILES notation for propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate?
The canonical SMILES for propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate is CCC1(F)CC(C(=O)OC(C)C)(C(F)F)C1.
What is the InChIKey of propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate?
The InChIKey is USBYIODDLULMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-4-10(14)5-11(6-10,8(12)13)9(15)16-7(2)3/h7-8H,4-6H2,1-3H3.
What are the key properties of propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate?
propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate has a molecular weight of 238.25 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 1-(difluoromethyl)-3-ethyl-3-fluorocyclobutane-1-carboxylate is sourced from PubChem (CID 118087190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).