N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide

C10H18F2N2O — CID 144624793

IUPACN-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide
SMILESCC(CCN)NC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c1-7(3-5-13)14-9(15)8-2-4-10(11,12)6-8/h7-8H,2-6,13H2,1H3,(H,14,15)
InChIKeyHBRNYQXQKMLXJU-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.28
Rot. Bonds4

About N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide

N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide (PubChem CID 144624793) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide
PubChem CID144624793
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC NameN-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide
SMILESCC(CCN)NC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C10H18F2N2O/c1-7(3-5-13)14-9(15)8-2-4-10(11,12)6-8/h7-8H,2-6,13H2,1H3,(H,14,15)
InChIKeyHBRNYQXQKMLXJU-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide (CID 144624793) is N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide is CC(CCN)NC(=O)C1CCC(F)(F)C1.
What is the InChIKey of N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide?
The InChIKey is HBRNYQXQKMLXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-7(3-5-13)14-9(15)8-2-4-10(11,12)6-8/h7-8H,2-6,13H2,1H3,(H,14,15).
What are the key properties of N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide?
N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide has a molecular weight of 220.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-3,3-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 144624793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).