N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide

C12H19F2NO2 — CID 114094514

IUPACN-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
SMILESO=C(C1CCC(F)(F)C1)N(CCO)C1CCC1
InChIInChI=1S/C12H19F2NO2/c13-12(14)5-4-9(8-12)11(17)15(6-7-16)10-2-1-3-10/h9-10,16H,1-8H2
InChIKeyYEUPWDMSTFGIST-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.80
Rot. Bonds4

About N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide

N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide (PubChem CID 114094514) has the molecular formula C12H19F2NO2 and a molecular weight of 247.28 g/mol. Its IUPAC name is N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
PubChem CID114094514
Molecular FormulaC12H19F2NO2
Molecular Weight247.28 g/mol
Exact Mass247.14
IUPAC NameN-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
SMILESO=C(C1CCC(F)(F)C1)N(CCO)C1CCC1
InChIInChI=1S/C12H19F2NO2/c13-12(14)5-4-9(8-12)11(17)15(6-7-16)10-2-1-3-10/h9-10,16H,1-8H2
InChIKeyYEUPWDMSTFGIST-UHFFFAOYSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide (CID 114094514) is N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide is O=C(C1CCC(F)(F)C1)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
The InChIKey is YEUPWDMSTFGIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO2/c13-12(14)5-4-9(8-12)11(17)15(6-7-16)10-2-1-3-10/h9-10,16H,1-8H2.
What are the key properties of N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide?
N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide has a molecular weight of 247.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3,3-difluoro-N-(2-hydroxyethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114094514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).