N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane

C11H21F2NO — CID 164555304

IUPACN-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane
SMILESCCC.CCNC(=O)C1(C)CC(F)(F)C1
InChIInChI=1S/C8H13F2NO.C3H8/c1-3-11-6(12)7(2)4-8(9,10)5-7;1-3-2/h3-5H2,1-2H3,(H,11,12);3H2,1-2H3
InChIKeyUDBABWVJWQSIQG-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.97
Rot. Bonds2

About N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane

N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane (PubChem CID 164555304) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane.

Molecular Properties

Compound NameN-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane
PubChem CID164555304
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC NameN-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane
SMILESCCC.CCNC(=O)C1(C)CC(F)(F)C1
InChIInChI=1S/C8H13F2NO.C3H8/c1-3-11-6(12)7(2)4-8(9,10)5-7;1-3-2/h3-5H2,1-2H3,(H,11,12);3H2,1-2H3
InChIKeyUDBABWVJWQSIQG-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane?
The IUPAC name of N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane (CID 164555304) is N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane.
What is the SMILES notation for N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane?
The canonical SMILES for N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane is CCC.CCNC(=O)C1(C)CC(F)(F)C1.
What is the InChIKey of N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane?
The InChIKey is UDBABWVJWQSIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO.C3H8/c1-3-11-6(12)7(2)4-8(9,10)5-7;1-3-2/h3-5H2,1-2H3,(H,11,12);3H2,1-2H3.
What are the key properties of N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane?
N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane has a molecular weight of 221.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-difluoro-1-methylcyclobutane-1-carboxamide;propane is sourced from PubChem (CID 164555304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).